
 CHEMBL382257

 72 75  0  0  0  0  0  0  0  0999 V2000
    1.1000    0.2185   -0.9762 C   0  0  0  0  0
    2.4156    0.3974   -0.1872 C   0  0  0  0  0
    2.2570   -0.3180    1.1696 C   0  0  0  0  0
    3.5227   -0.3287   -0.9833 C   0  0  0  0  0
    2.7558    1.9282   -0.0287 C   0  0  0  0  0
    1.6432    2.7491    0.6649 C   0  0  0  0  0
    1.9214    4.2361    0.7614 C   0  0  0  0  0
    2.1037    5.0224   -0.3837 C   0  0  0  0  0
    2.3522    6.3921   -0.2681 C   0  0  0  0  0
    2.4074    6.9907    0.9900 C   0  0  0  0  0
    2.2166    6.2207    2.1340 C   0  0  0  0  0
    1.9767    4.8514    2.0206 C   0  0  0  0  0
    4.0801    2.1294    0.7208 C   0  0  0  0  0
    4.1626    2.1414    1.9459 O   0  0  0  0  0
    5.1802    2.2101   -0.1091 N   0  0  0  0  0
    6.5240    2.3484    0.4081 C   0  0  0  0  0
    6.9385    3.8129    0.5442 C   0  0  0  0  0
    8.3402    3.8998    1.1602 C   0  0  0  0  0
    8.8954    5.2621    1.2635 N   0  0  0  0  0
    8.0656    6.1999    2.0334 C   0  0  0  0  0
    7.9461    5.8246    3.5093 C   0  0  0  0  0
    9.3249    5.6865    4.1837 C   0  0  0  0  0
    9.9259    7.0840    4.5220 C   0  0  0  0  0
   10.7616    6.9182    5.8008 C   0  0  0  0  0
   10.0360    5.8017    6.4799 C   0  0  0  0  0
   10.1345    5.4148    7.8079 C   0  0  0  0  0
    9.3981    4.3070    8.2338 C   0  0  0  0  0
    8.5926    3.5954    7.3335 C   0  0  0  0  0
    8.5112    3.9851    5.9953 C   0  0  0  0  0
    9.2324    5.0960    5.5769 C   0  0  0  0  0
   10.2951    4.8498    3.3209 C   0  0  0  0  0
   10.2533    5.2340    1.8360 C   0  0  0  0  0
    1.1311    0.7656   -1.9246 H   0  0  0  0  0
    0.2321    0.5670   -0.4077 H   0  0  0  0  0
    0.9189   -0.8377   -1.2089 H   0  0  0  0  0
    1.4544    0.1199    1.7711 H   0  0  0  0  0
    3.1796   -0.2840    1.7581 H   0  0  0  0  0
    2.0093   -1.3768    1.0265 H   0  0  0  0  0
    3.7045    0.1621   -1.9460 H   0  0  0  0  0
    3.2435   -1.3689   -1.1912 H   0  0  0  0  0
    4.4677   -0.3632   -0.4313 H   0  0  0  0  0
    2.8830    2.3384   -1.0410 H   0  0  0  0  0
    1.4548    2.3545    1.6698 H   0  0  0  0  0
    0.6992    2.6494    0.1169 H   0  0  0  0  0
    2.0499    4.5798   -1.3742 H   0  0  0  0  0
    2.4992    6.9956   -1.1604 H   0  0  0  0  0
    2.5975    8.0574    1.0788 H   0  0  0  0  0
    2.2569    6.6824    3.1161 H   0  0  0  0  0
    1.8410    4.2621    2.9252 H   0  0  0  0  0
    5.0426    2.2949   -1.1070 H   0  0  0  0  0
    7.1889    1.8266   -0.2877 H   0  0  0  0  0
    6.5871    1.8428    1.3780 H   0  0  0  0  0
    6.2039    4.3312    1.1712 H   0  0  0  0  0
    6.9231    4.2973   -0.4400 H   0  0  0  0  0
    9.0164    3.3104    0.5271 H   0  0  0  0  0
    8.3167    3.3991    2.1344 H   0  0  0  0  0
    7.0694    6.2947    1.5882 H   0  0  0  0  0
    8.5000    7.2053    1.9477 H   0  0  0  0  0
    7.3363    6.5769    4.0262 H   0  0  0  0  0
    7.3777    4.8906    3.5900 H   0  0  0  0  0
    9.1203    7.8020    4.7326 H   0  0  0  0  0
   10.5193    7.5118    3.7074 H   0  0  0  0  0
   10.7651    7.8364    6.3952 H   0  0  0  0  0
   11.7890    6.6181    5.5707 H   0  0  0  0  0
   10.7658    5.9562    8.5029 H   0  0  0  0  0
    9.4542    3.9873    9.2713 H   0  0  0  0  0
    8.0316    2.7306    7.6774 H   0  0  0  0  0
    7.8966    3.4170    5.3034 H   0  0  0  0  0
   11.3263    4.9531    3.6830 H   0  0  0  0  0
   10.0610    3.7821    3.4208 H   0  0  0  0  0
   10.7113    6.2223    1.7013 H   0  0  0  0  0
   10.8873    4.5459    1.2624 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
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  5 13  1  0  0  0
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  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
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  9 10  2  0  0  0
  9 46  1  0  0  0
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 26 27  1  0  0  0
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 27 28  2  0  0  0
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 31 70  1  0  0  0
 32 71  1  0  0  0
 32 72  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL382257

>  <PubChem CID>
44406975

>  <Formula>
C29H40N2O

>  <Molecular Weight>
432.652000

>  <IUPAC Name>
2-benzyl-3,3-dimethyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)(C)C(CC1=CC=CC=C1)C(=O)NCCCN2CCC3(CCC4=CC=CC=C43)CC2

>  <Isomeric SMILES>
CC(C)(C)C(CC1=CC=CC=C1)C(=O)NCCCN2CCC3(CCC4=CC=CC=C43)CC2

>  <InChI Std. ID>
InChI=1S/C29H40N2O/c1-28(2,3)26(22-23-10-5-4-6-11-23)27(32)30-18-9-19-31-20-16-29(17-21-31)15-14-24-12-7-8-13-25(24)29/h4-8,10-13,26H,9,14-22H2,1-3H3,(H,30,32)

>  <InChI Key>
AVDFEWUMZBRVSD-UHFFFAOYSA-N

