
 CHEMBL2407175

 67 70  0  0  0  0  0  0  0  0999 V2000
    3.3503    2.5073   -2.3127 C   0  0  0  0  0
    2.7626    1.4406   -1.4014 C   0  0  0  0  0
    3.1225    1.6248    0.0771 C   0  0  0  0  0
    4.5463    1.4424    0.3571 N   0  0  0  0  0
    5.0320    0.1616    0.5322 C   0  0  0  0  0
    4.3516   -0.8556    0.3943 O   0  0  0  0  0
    6.4488    0.0613    1.0353 C   0  0  0  0  0
    7.4094    1.0379    0.3368 C   0  0  0  0  0
    7.6191    0.6541   -1.1575 C   0  0  0  0  0
    8.6767   -0.4442   -1.3237 C   0  0  0  0  0
   10.0122   -0.0615   -0.8230 N   0  0  0  0  0
    9.9648    1.0282    0.1555 C   0  0  0  0  0
    8.7656    0.9366    1.0978 C   0  0  0  0  0
   10.7536   -1.2585   -0.3852 C   0  0  0  0  0
   12.2296   -1.0309    0.0281 C   0  0  0  0  0
   12.9119   -2.3550    0.4128 C   0  0  0  0  0
   13.2336   -3.2346   -0.7911 C   0  0  0  0  0
   13.9378   -2.5055   -1.8360 N   0  0  0  0  0
   13.3733   -1.2197   -2.2421 C   0  0  0  0  0
   13.0718   -0.3251   -1.0444 C   0  0  0  0  0
   14.7784   -3.2299   -2.6719 C   0  0  0  0  0
   15.0764   -4.4062   -2.4876 O   0  0  0  0  0
   15.2414   -2.4925   -3.7174 O   0  0  0  0  0
   16.1093   -3.1736   -4.6344 C   0  0  0  0  0
   17.5397   -3.1555   -4.1280 C   0  0  0  0  0
    6.7794    2.4289    0.4045 C   0  0  0  0  0
    5.3861    2.5823    0.3990 C   0  0  0  0  0
    4.7915    3.7995    0.3918 N   0  0  0  0  0
    5.5708    4.8980    0.3989 C   0  0  0  0  0
    6.9463    4.8510    0.4009 C   0  0  0  0  0
    7.5537    3.6017    0.3968 C   0  0  0  0  0
    2.9718    2.3803   -3.3318 H   0  0  0  0  0
    4.4412    2.4383   -2.3562 H   0  0  0  0  0
    3.0760    3.5112   -1.9744 H   0  0  0  0  0
    3.0868    0.4538   -1.7511 H   0  0  0  0  0
    1.6703    1.4688   -1.4955 H   0  0  0  0  0
    2.5716    0.8695    0.6530 H   0  0  0  0  0
    2.7625    2.5904    0.4489 H   0  0  0  0  0
    6.7838   -0.9746    0.9036 H   0  0  0  0  0
    6.4125    0.2525    2.1169 H   0  0  0  0  0
    7.9346    1.5297   -1.7420 H   0  0  0  0  0
    6.6783    0.3232   -1.6148 H   0  0  0  0  0
    8.7675   -0.6964   -2.3868 H   0  0  0  0  0
    8.3108   -1.3477   -0.8190 H   0  0  0  0  0
    9.9269    1.9680   -0.4073 H   0  0  0  0  0
   10.8820    1.1099    0.7435 H   0  0  0  0  0
    8.8373   -0.0225    1.6295 H   0  0  0  0  0
    8.8442    1.7013    1.8801 H   0  0  0  0  0
   10.7288   -1.9845   -1.2068 H   0  0  0  0  0
   10.2296   -1.7290    0.4574 H   0  0  0  0  0
   12.2429   -0.4110    0.9320 H   0  0  0  0  0
   12.2941   -2.9123    1.1266 H   0  0  0  0  0
   13.8511   -2.1192    0.9309 H   0  0  0  0  0
   13.8335   -4.0886   -0.4566 H   0  0  0  0  0
   12.3191   -3.6444   -1.2348 H   0  0  0  0  0
   14.0608   -0.6903   -2.9095 H   0  0  0  0  0
   12.4637   -1.4277   -2.8170 H   0  0  0  0  0
   14.0246   -0.0244   -0.5881 H   0  0  0  0  0
   12.5908    0.5990   -1.3828 H   0  0  0  0  0
   16.0519   -2.6340   -5.5854 H   0  0  0  0  0
   15.7618   -4.1954   -4.8250 H   0  0  0  0  0
   17.8667   -2.1289   -3.9337 H   0  0  0  0  0
   18.2147   -3.6090   -4.8594 H   0  0  0  0  0
   17.6314   -3.7026   -3.1845 H   0  0  0  0  0
    5.0393    5.8450    0.3967 H   0  0  0  0  0
    7.5344    5.7618    0.3956 H   0  0  0  0  0
    8.6379    3.5676    0.3763 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8 26  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 11 14  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 45  1  0  0  0
 12 46  1  0  0  0
 13 47  1  0  0  0
 13 48  1  0  0  0
 14 15  1  0  0  0
 14 49  1  0  0  0
 14 50  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15 51  1  0  0  0
 16 17  1  0  0  0
 16 52  1  0  0  0
 16 53  1  0  0  0
 17 18  1  0  0  0
 17 54  1  0  0  0
 17 55  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  1  0  0  0
 19 56  1  0  0  0
 19 57  1  0  0  0
 20 58  1  0  0  0
 20 59  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 60  1  0  0  0
 24 61  1  0  0  0
 25 62  1  0  0  0
 25 63  1  0  0  0
 25 64  1  0  0  0
 26 31  1  0  0  0
 26 27  2  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 29 30  1  0  0  0
 29 65  1  0  0  0
 30 31  2  0  0  0
 30 66  1  0  0  0
 31 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2407175

>  <PubChem CID>
56952778

>  <Formula>
C24H36N4O3

>  <Molecular Weight>
428.577000

>  <IUPAC Name>
ethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN1C(=O)CC2(CCN(CC2)CC3CCN(CC3)C(=O)OCC)C4=C1N=CC=C4

>  <Isomeric SMILES>
CCCN1C(=O)CC2(CCN(CC2)CC3CCN(CC3)C(=O)OCC)C4=C1N=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H36N4O3/c1-3-12-28-21(29)17-24(20-6-5-11-25-22(20)28)9-15-26(16-10-24)18-19-7-13-27(14-8-19)23(30)31-4-2/h5-6,11,19H,3-4,7-10,12-18H2,1-2H3

>  <InChI Key>
AATNRUXRJQIOEV-UHFFFAOYSA-N

