
 CHEMBL1916235

 58 60  0  0  0  0  0  0  0  0999 V2000
    2.2486    1.5760   -5.5026 C   0  0  0  0  0
    1.6068    1.9025   -4.1671 C   0  0  0  0  0
    2.5770    2.4153   -3.2434 O   0  0  0  0  0
    2.7962    3.7596   -3.2947 C   0  0  0  0  0
    2.2766    4.4991   -4.1205 O   0  0  0  0  0
    3.6684    4.1966   -2.3013 N   0  0  0  0  0
    4.1748    5.5597   -2.4256 C   0  0  0  0  0
    4.7357    6.1047   -1.1159 C   0  0  0  0  0
    5.8009    5.1576   -0.5212 C   0  0  0  0  0
    5.0490    3.8344   -0.2613 C   0  0  0  0  0
    4.4822    3.2427   -1.5492 C   0  0  0  0  0
    7.0021    5.0060   -1.3943 N   0  0  0  0  0
    7.9701    4.0346   -0.8449 C   0  0  0  0  0
    9.1623    3.8292   -1.7822 C   0  0  0  0  0
    9.9008    5.1329   -2.0444 C   0  0  0  0  0
    8.9247    6.2074   -2.5235 C   0  0  0  0  0
    7.6885    6.3065   -1.5963 C   0  0  0  0  0
    9.5879    7.4929   -2.7348 N   0  0  0  0  0
   10.1280    8.2519   -1.7163 C   0  0  0  0  0
   10.0891    7.9190   -0.5378 O   0  0  0  0  0
   10.8093    9.5236   -2.2035 C   0  0  0  0  0
    9.8373   10.4567   -2.9326 C   0  0  0  0  0
   10.3953   11.8462   -2.6781 C   0  0  0  0  0
   10.8314   11.7740   -1.2267 C   0  0  0  0  0
   11.4192   10.3739   -1.0743 C   0  0  0  0  0
    1.5120    1.1464   -6.1881 H   0  0  0  0  0
    3.0672    0.8607   -5.3730 H   0  0  0  0  0
    2.6757    2.4705   -5.9664 H   0  0  0  0  0
    1.2017    0.9868   -3.7240 H   0  0  0  0  0
    0.7671    2.5969   -4.2857 H   0  0  0  0  0
    3.3677    6.2169   -2.7695 H   0  0  0  0  0
    4.9408    5.5582   -3.2102 H   0  0  0  0  0
    5.1173    7.1200   -1.2592 H   0  0  0  0  0
    3.9129    6.2082   -0.3946 H   0  0  0  0  0
    6.1167    5.5628    0.4500 H   0  0  0  0  0
    5.6747    3.0990    0.2538 H   0  0  0  0  0
    4.2176    4.0342    0.4295 H   0  0  0  0  0
    5.2851    2.8989   -2.2114 H   0  0  0  0  0
    3.8778    2.3655   -1.2931 H   0  0  0  0  0
    7.5085    3.0501   -0.7276 H   0  0  0  0  0
    8.3223    4.3540    0.1446 H   0  0  0  0  0
    9.8526    3.0991   -1.3441 H   0  0  0  0  0
    8.8132    3.4052   -2.7324 H   0  0  0  0  0
   10.4080    5.4462   -1.1248 H   0  0  0  0  0
   10.6857    4.9735   -2.7935 H   0  0  0  0  0
    8.5647    5.9123   -3.5189 H   0  0  0  0  0
    7.9607    6.7306   -0.6232 H   0  0  0  0  0
    7.0128    7.0220   -2.0762 H   0  0  0  0  0
    9.7246    7.7964   -3.6904 H   0  0  0  0  0
   11.6164    9.2217   -2.8841 H   0  0  0  0  0
    8.8247   10.3739   -2.5180 H   0  0  0  0  0
    9.7768   10.2347   -4.0027 H   0  0  0  0  0
   11.2591   12.0339   -3.3268 H   0  0  0  0  0
    9.6555   12.6321   -2.8532 H   0  0  0  0  0
   11.5525   12.5551   -0.9685 H   0  0  0  0  0
    9.9618   11.8860   -0.5682 H   0  0  0  0  0
   12.5076   10.4145   -1.2017 H   0  0  0  0  0
   11.2331    9.9907   -0.0663 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 15 45  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 46  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 19  1  0  0  0
 18 49  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 25  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 22 23  1  0  0  0
 22 51  1  0  0  0
 22 52  1  0  0  0
 23 24  1  0  0  0
 23 53  1  0  0  0
 23 54  1  0  0  0
 24 25  1  0  0  0
 24 55  1  0  0  0
 24 56  1  0  0  0
 25 57  1  0  0  0
 25 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1916235

>  <PubChem CID>
46873656

>  <Formula>
C19H33N3O3

>  <Molecular Weight>
351.491000

>  <IUPAC Name>
ethyl 4-[(3R)-3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC(=O)N1CCC(CC1)N2CCCC(C2)NC(=O)C3CCCC3

>  <Isomeric SMILES>
CCOC(=O)N1CCC(CC1)N2CCC[C@H](C2)NC(=O)C3CCCC3

>  <InChI Std. ID>
InChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-9-17(10-13-21)22-11-5-8-16(14-22)20-18(23)15-6-3-4-7-15/h15-17H,2-14H2,1H3,(H,20,23)/t16-/m1/s1

>  <InChI Key>
NTSQDFWSCSUPSQ-MRXNPFEDSA-N

