
 CHEMBL386990

 60 62  0  0  0  0  0  0  0  0999 V2000
    4.3056   -0.1682   -0.1689 C   0  0  0  0  0
    5.4357   -1.1179   -0.4622 C   0  0  0  0  0
    5.2904   -2.3349   -0.3613 O   0  0  0  0  0
    6.6550   -0.6211   -0.8148 N   0  0  0  0  0
    7.0806    0.7657   -0.8953 C   0  0  0  0  0
    7.3876    1.3511    0.4746 C   0  0  0  0  0
    7.6817    2.8318    0.3152 C   0  0  0  0  0
    8.8084    3.1595   -0.0731 O   0  0  0  0  0
    6.6435    3.7604    0.4615 N   0  0  0  0  0
    6.9091    5.1546    0.0168 C   0  0  0  0  0
    6.3460    6.2495    0.9385 C   0  0  0  0  0
    6.6733    7.6335    0.3809 C   0  0  0  0  0
    6.1909    7.8341   -0.9931 N   0  0  0  0  0
    6.8036    6.8338   -1.8842 C   0  0  0  0  0
    6.5544    5.3829   -1.4621 C   0  0  0  0  0
    4.7191    7.8528   -1.1212 C   0  0  0  0  0
    4.0374    9.0055   -0.3624 C   0  0  0  0  0
    2.5324    8.9319   -0.4758 C   0  0  0  0  0
    1.7928    8.1666    0.4379 C   0  0  0  0  0
    0.4035    8.0903    0.3348 C   0  0  0  0  0
   -0.2578    8.7725   -0.6844 C   0  0  0  0  0
    0.4693    9.5292   -1.6023 C   0  0  0  0  0
    1.8592    9.6077   -1.5008 C   0  0  0  0  0
    5.4085    3.4628    1.1110 C   0  0  0  0  0
    5.4087    2.9151    2.4010 C   0  0  0  0  0
    4.2073    2.6350    3.0581 C   0  0  0  0  0
    2.9918    2.9154    2.4399 C   0  0  0  0  0
    2.9774    3.4815    1.1686 C   0  0  0  0  0
    4.1794    3.7575    0.5105 C   0  0  0  0  0
    4.4237    0.7956   -0.6638 H   0  0  0  0  0
    4.2358   -0.0181    0.9116 H   0  0  0  0  0
    3.3720   -0.6078   -0.5334 H   0  0  0  0  0
    7.3525   -1.3442   -0.9537 H   0  0  0  0  0
    6.3162    1.3472   -1.4190 H   0  0  0  0  0
    7.9792    0.7838   -1.5226 H   0  0  0  0  0
    8.2758    0.8727    0.9059 H   0  0  0  0  0
    6.5796    1.1376    1.1699 H   0  0  0  0  0
    7.9984    5.2915    0.0743 H   0  0  0  0  0
    6.7865    6.1473    1.9381 H   0  0  0  0  0
    5.2641    6.1617    1.0725 H   0  0  0  0  0
    6.2908    8.4073    1.0535 H   0  0  0  0  0
    7.7625    7.7765    0.3919 H   0  0  0  0  0
    6.4568    6.9828   -2.9143 H   0  0  0  0  0
    7.8862    7.0141   -1.9165 H   0  0  0  0  0
    5.5138    5.1257   -1.6702 H   0  0  0  0  0
    7.1555    4.7155   -2.0924 H   0  0  0  0  0
    4.2792    6.8980   -0.8103 H   0  0  0  0  0
    4.4664    7.9668   -2.1844 H   0  0  0  0  0
    4.3925    9.9707   -0.7447 H   0  0  0  0  0
    4.2895    8.9895    0.7035 H   0  0  0  0  0
    2.2960    7.6305    1.2399 H   0  0  0  0  0
   -0.1630    7.5024    1.0520 H   0  0  0  0  0
   -1.3403    8.7170   -0.7625 H   0  0  0  0  0
   -0.0472   10.0619   -2.3966 H   0  0  0  0  0
    2.4132   10.2031   -2.2231 H   0  0  0  0  0
    6.3445    2.7206    2.9206 H   0  0  0  0  0
    4.2215    2.2046    4.0564 H   0  0  0  0  0
    2.0566    2.6985    2.9505 H   0  0  0  0  0
    2.0301    3.7071    0.6840 H   0  0  0  0  0
    4.1226    4.1780   -0.4858 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 24  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 51  1  0  0  0
 20 21  2  0  0  0
 20 52  1  0  0  0
 21 22  1  0  0  0
 21 53  1  0  0  0
 22 23  2  0  0  0
 22 54  1  0  0  0
 23 55  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 56  1  0  0  0
 26 27  2  0  0  0
 26 57  1  0  0  0
 27 28  1  0  0  0
 27 58  1  0  0  0
 28 29  2  0  0  0
 28 59  1  0  0  0
 29 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL386990

>  <PubChem CID>
44416410

>  <Formula>
C24H31N3O2

>  <Molecular Weight>
393.531000

>  <IUPAC Name>
3-acetamido-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CC(=O)NCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C24H31N3O2/c1-20(28)25-16-12-24(29)27(22-10-6-3-7-11-22)23-14-18-26(19-15-23)17-13-21-8-4-2-5-9-21/h2-11,23H,12-19H2,1H3,(H,25,28)

>  <InChI Key>
BDDHGMFOOKYNHZ-UHFFFAOYSA-N

