
 CHEMBL3400190

 61 63  0  0  0  0  0  0  0  0999 V2000
    1.5570   -1.6551   -1.0668 C   0  0  0  0  0
    2.8401   -1.0153   -0.5522 C   0  0  0  0  0
    2.9309    0.5121   -0.7947 C   0  0  0  0  0
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    1.4988    1.1805    1.2573 C   0  0  0  0  0
    4.3094    1.0172   -0.2753 C   0  0  0  0  0
    4.6546    2.5136   -0.4839 C   0  0  0  0  0
    4.4627    2.9666   -1.9311 C   0  0  0  0  0
    4.8189    4.4407   -2.1124 C   0  0  0  0  0
    6.1486    4.7990   -1.6049 N   0  0  0  0  0
    6.4860    4.2575   -0.2857 C   0  0  0  0  0
    6.1187    2.7850   -0.1034 C   0  0  0  0  0
    6.7591    6.0407   -1.8951 C   0  0  0  0  0
    7.6212    6.5148   -1.1645 O   0  0  0  0  0
    6.3081    6.6373   -3.0520 N   0  0  0  0  0
    6.6685    7.8946   -3.5884 C   0  0  0  0  0
    7.4565    8.8416   -2.9364 C   0  0  0  0  0
    7.7880   10.0462   -3.5733 C   0  0  0  0  0
    7.3592   10.2862   -4.8820 C   0  0  0  0  0
    6.5380    9.3660   -5.5219 C   0  0  0  0  0
    6.1870    8.1798   -4.8758 C   0  0  0  0  0
    8.6046   10.9034   -2.8675 O   0  0  0  0  0
    8.4721   12.2609   -3.0549 C   0  0  0  0  0
    9.6536   13.0032   -3.0933 C   0  0  0  0  0
    9.6043   14.3889   -3.2509 C   0  0  0  0  0
    8.3723   15.0339   -3.3616 C   0  0  0  0  0
    7.1898   14.2968   -3.2961 C   0  0  0  0  0
    7.2375   12.9117   -3.1249 C   0  0  0  0  0
    3.8184    3.3070    0.3600 O   0  0  0  0  0
    1.6291   -2.7457   -1.0024 H   0  0  0  0  0
    1.3733   -1.3882   -2.1120 H   0  0  0  0  0
    0.6902   -1.3519   -0.4721 H   0  0  0  0  0
    3.6841   -1.5011   -1.0583 H   0  0  0  0  0
    2.9500   -1.2409    0.5149 H   0  0  0  0  0
    2.9235    0.6484   -1.8844 H   0  0  0  0  0
    0.8009    0.9163   -0.7457 H   0  0  0  0  0
    1.7695    2.3343   -0.5317 H   0  0  0  0  0
    1.3573    0.1452    1.5787 H   0  0  0  0  0
    0.6015    1.7397    1.5424 H   0  0  0  0  0
    2.3395    1.5996    1.8146 H   0  0  0  0  0
    5.0860    0.4159   -0.7678 H   0  0  0  0  0
    4.3780    0.7873    0.7960 H   0  0  0  0  0
    3.4234    2.8421   -2.2511 H   0  0  0  0  0
    5.0865    2.3565   -2.5965 H   0  0  0  0  0
    4.7417    4.6508   -3.1816 H   0  0  0  0  0
    4.0892    5.0858   -1.6067 H   0  0  0  0  0
    7.5620    4.3732   -0.1083 H   0  0  0  0  0
    5.9717    4.8735    0.4623 H   0  0  0  0  0
    6.7855    2.1690   -0.7205 H   0  0  0  0  0
    6.2991    2.5115    0.9437 H   0  0  0  0  0
    5.8016    6.0463   -3.6836 H   0  0  0  0  0
    7.8342    8.6723   -1.9318 H   0  0  0  0  0
    7.6575   11.1890   -5.4098 H   0  0  0  0  0
    6.1796    9.5630   -6.5299 H   0  0  0  0  0
    5.5498    7.4744   -5.4003 H   0  0  0  0  0
   10.6126   12.5001   -3.0012 H   0  0  0  0  0
   10.5256   14.9647   -3.2833 H   0  0  0  0  0
    8.3337   16.1132   -3.4871 H   0  0  0  0  0
    6.2300   14.8010   -3.3689 H   0  0  0  0  0
    6.3101   12.3511   -3.0483 H   0  0  0  0  0
    3.9951    3.0580    1.2840 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  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
  9 46  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
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 13 14  2  0  0  0
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 16 21  1  0  0  0
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 26 27  1  0  0  0
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 28 60  1  0  0  0
 29 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3400190

>  <PubChem CID>
23072004

>  <Formula>
C24H32N2O3

>  <Molecular Weight>
396.531000

>  <IUPAC Name>
4-(2-ethylbutyl)-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3)O

>  <Isomeric SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C24H32N2O3/c1-3-19(4-2)18-24(28)13-15-26(16-14-24)23(27)25-20-9-8-12-22(17-20)29-21-10-6-5-7-11-21/h5-12,17,19,28H,3-4,13-16,18H2,1-2H3,(H,25,27)

>  <InChI Key>
ADRYJOXPOBMWLF-UHFFFAOYSA-N

