
 CHEMBL427137

 68 70  0  0  0  0  0  0  0  0999 V2000
    1.3582    3.5721    1.7169 C   0  0  0  0  0
    2.2259    2.3026    1.6658 C   0  0  0  0  0
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   10.5640    2.4701   -7.6059 C   0  0  0  0  0
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   12.8600    3.9395   -3.2725 C   0  0  0  0  0
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    1.8150    4.3352    2.3571 H   0  0  0  0  0
    0.3638    3.3527    2.1226 H   0  0  0  0  0
    2.7156    2.4239    3.8013 H   0  0  0  0  0
    2.8934    0.8000    3.1174 H   0  0  0  0  0
    1.2826    1.4475    3.4530 H   0  0  0  0  0
    1.3827    1.6286   -0.2555 H   0  0  0  0  0
    0.5952    0.9404    1.1540 H   0  0  0  0  0
    2.1925    0.3557    0.6689 H   0  0  0  0  0
    4.2821    1.7213    1.3158 H   0  0  0  0  0
    4.0839    3.3770    1.9272 H   0  0  0  0  0
    4.4438    3.7277   -2.5847 H   0  0  0  0  0
    6.0224    2.9495   -2.4496 H   0  0  0  0  0
    5.8379    4.7098   -2.1432 H   0  0  0  0  0
    6.0684    3.5864    1.2646 H   0  0  0  0  0
    6.3292    1.2239   -0.3624 H   0  0  0  0  0
    6.7091    1.4631    1.3326 H   0  0  0  0  0
    9.0012    2.1256    0.8458 H   0  0  0  0  0
    8.6145    0.6444   -0.0272 H   0  0  0  0  0
    9.4563    4.3434   -0.9930 H   0  0  0  0  0
    8.1415    4.1813   -2.1390 H   0  0  0  0  0
    8.1271    4.4253    0.8521 H   0  0  0  0  0
    7.1445    5.2940   -0.3046 H   0  0  0  0  0
   10.1501    0.9180   -1.6694 H   0  0  0  0  0
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    9.7121    2.8001   -8.1953 H   0  0  0  0  0
    9.5279    2.7351   -5.7650 H   0  0  0  0  0
   13.5032    0.6920   -2.4599 H   0  0  0  0  0
   15.4427    1.7581   -1.3751 H   0  0  0  0  0
   15.7461    4.2163   -1.4921 H   0  0  0  0  0
   14.0980    5.6118   -2.7121 H   0  0  0  0  0
   12.1577    4.5654   -3.8189 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
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  5  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL427137

>  <PubChem CID>
44392109

>  <Formula>
C27H38N2O

>  <Molecular Weight>
406.614000

>  <IUPAC Name>
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N,3,3-trimethylbutanamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)(C)CC(=O)N(C)C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CC(C)(C)CC(=O)N(C)C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C27H38N2O/c1-27(2,3)21-26(30)28(4)24-15-18-29(19-16-24)20-17-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,24-25H,15-21H2,1-4H3

>  <InChI Key>
AJPBIERWPWHRHF-UHFFFAOYSA-N

