
 CHEMBL276928

 65 70  0  0  0  0  0  0  0  0999 V2000
    3.4305    0.5868    1.2499 C   0  0  0  0  0
    4.5439    1.1475    0.4873 N   0  0  0  0  0
    4.1804    1.4069   -0.9100 C   0  0  0  0  0
    3.3160    2.6558   -1.1111 C   0  0  0  0  0
    3.9402    3.9000   -0.4475 C   0  0  0  0  0
    4.2853    3.5935    1.0140 C   0  0  0  0  0
    5.1338    2.3245    1.1339 C   0  0  0  0  0
    5.1618    4.4165   -1.2467 C   0  0  0  0  0
    4.6742    5.2733   -2.3071 O   0  0  0  0  0
    3.5285    5.7971   -1.7646 C   0  0  0  0  0
    3.0671    5.0992   -0.6560 C   0  0  0  0  0
    1.9463    5.5426    0.0321 C   0  0  0  0  0
    1.2931    6.7063   -0.4086 C   0  0  0  0  0
    1.7450    7.3566   -1.5713 C   0  0  0  0  0
    2.8751    6.9030   -2.2584 C   0  0  0  0  0
    0.1911    7.1580    0.3517 N   0  0  0  0  0
   -0.4319    8.3859    0.2640 C   0  0  0  0  0
   -0.0233    9.3217   -0.4180 O   0  0  0  0  0
   -1.5900    8.5078    1.0528 N   0  0  0  0  0
   -2.4483    7.3568    1.3418 C   0  0  0  0  0
   -3.4102    7.6324    2.4919 C   0  0  0  0  0
   -4.2776    8.8723    2.2291 C   0  0  0  0  0
   -3.3302   10.0587    1.9927 C   0  0  0  0  0
   -2.2822    9.7887    0.9121 C   0  0  0  0  0
   -5.3129    8.6497    1.1403 C   0  0  0  0  0
   -5.4776    9.3625   -0.0342 C   0  0  0  0  0
   -6.4893    8.7970   -0.7609 N   0  0  0  0  0
   -7.0359    7.7437   -0.0713 C   0  0  0  0  0
   -6.3489    7.6476    1.1413 C   0  0  0  0  0
   -6.7584    6.6556    2.0564 C   0  0  0  0  0
   -7.7987    5.7949    1.7058 C   0  0  0  0  0
   -8.4487    5.8955    0.4842 C   0  0  0  0  0
   -8.0820    6.8836   -0.4314 C   0  0  0  0  0
   -8.1755    4.8433    2.5709 F   0  0  0  0  0
    3.7547    0.3224    2.2618 H   0  0  0  0  0
    3.0807   -0.3418    0.7857 H   0  0  0  0  0
    2.5777    1.2683    1.3308 H   0  0  0  0  0
    3.6696    0.5356   -1.3382 H   0  0  0  0  0
    5.1052    1.5028   -1.4911 H   0  0  0  0  0
    3.1708    2.8153   -2.1874 H   0  0  0  0  0
    2.3149    2.4766   -0.6971 H   0  0  0  0  0
    4.8217    4.4343    1.4712 H   0  0  0  0  0
    3.3674    3.4706    1.6024 H   0  0  0  0  0
    6.1192    2.5066    0.6871 H   0  0  0  0  0
    5.3321    2.1142    2.1921 H   0  0  0  0  0
    5.7616    3.6186   -1.6941 H   0  0  0  0  0
    5.8350    5.0210   -0.6227 H   0  0  0  0  0
    1.5919    4.9984    0.9014 H   0  0  0  0  0
    1.2357    8.2309   -1.9642 H   0  0  0  0  0
    3.2364    7.4181   -3.1413 H   0  0  0  0  0
    0.0064    6.6456    1.1986 H   0  0  0  0  0
   -1.8537    6.4782    1.6033 H   0  0  0  0  0
   -2.9888    7.1066    0.4207 H   0  0  0  0  0
   -4.0167    6.7417    2.6745 H   0  0  0  0  0
   -2.8271    7.7987    3.4078 H   0  0  0  0  0
   -4.8454    9.0876    3.1450 H   0  0  0  0  0
   -3.8884   10.9709    1.7500 H   0  0  0  0  0
   -2.8009   10.2655    2.9327 H   0  0  0  0  0
   -2.7293    9.8057   -0.0879 H   0  0  0  0  0
   -1.5453   10.6010    0.9364 H   0  0  0  0  0
   -4.9535   10.2198   -0.4346 H   0  0  0  0  0
   -6.7978    9.1113   -1.6705 H   0  0  0  0  0
   -6.2840    6.5451    3.0248 H   0  0  0  0  0
   -9.2504    5.2021    0.2497 H   0  0  0  0  0
   -8.5915    6.9758   -1.3853 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7 44  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 46  1  0  0  0
  8 47  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 48  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 49  1  0  0  0
 15 50  1  0  0  0
 16 17  1  0  0  0
 16 51  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 52  1  0  0  0
 20 53  1  0  0  0
 21 22  1  0  0  0
 21 54  1  0  0  0
 21 55  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 22 56  1  0  0  0
 23 24  1  0  0  0
 23 57  1  0  0  0
 23 58  1  0  0  0
 24 59  1  0  0  0
 24 60  1  0  0  0
 25 29  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 61  1  0  0  0
 27 28  1  0  0  0
 27 62  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 63  1  0  0  0
 31 32  1  0  0  0
 31 34  1  0  0  0
 32 33  2  0  0  0
 32 64  1  0  0  0
 33 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL276928

>  <PubChem CID>
10552023

>  <Formula>
C27H31FN4O2

>  <Molecular Weight>
462.569000

>  <IUPAC Name>
4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC2(CC1)COC3=C2C=C(C=C3)NC(=O)N4CCC(CC4)C5=CNC6=C5C=C(C=C6)F

>  <Isomeric SMILES>
CN1CCC2(CC1)COC3=C2C=C(C=C3)NC(=O)N4CCC(CC4)C5=CNC6=C5C=C(C=C6)F

>  <InChI Std. ID>
InChI=1S/C27H31FN4O2/c1-31-12-8-27(9-13-31)17-34-25-5-3-20(15-23(25)27)30-26(33)32-10-6-18(7-11-32)22-16-29-24-4-2-19(28)14-21(22)24/h2-5,14-16,18,29H,6-13,17H2,1H3,(H,30,33)

>  <InChI Key>
HIBNGDNAJQHLGU-UHFFFAOYSA-N

