
 CHEMBL2180537

 54 55  0  0  0  0  0  0  0  0999 V2000
    0.2685    1.9822   -2.2990 C   0  0  0  0  0
    1.7377    1.5586   -2.2274 C   0  0  0  0  0
    2.4123    1.8902   -3.5667 C   0  0  0  0  0
    2.4991    2.2168   -1.0529 C   0  0  0  0  0
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    2.2096    0.7577    0.8434 O   0  0  0  0  0
    0.9152    2.6677    0.8903 N   0  0  0  0  0
    0.8449    4.0882    0.5547 C   0  0  0  0  0
   -0.4458    4.7731    1.0039 C   0  0  0  0  0
   -0.8393    4.4675    2.4574 C   0  0  0  0  0
   -0.8564    2.9365    2.6191 C   0  0  0  0  0
    0.4777    2.3041    2.2387 C   0  0  0  0  0
   -0.0527    5.1791    3.5565 C   0  0  0  0  0
    1.0194    6.0495    3.3062 C   0  0  0  0  0
    1.7073    6.6725    4.3539 C   0  0  0  0  0
    1.3168    6.4531    5.6695 C   0  0  0  0  0
    0.2368    5.6235    5.9459 C   0  0  0  0  0
   -0.4441    4.9976    4.8971 C   0  0  0  0  0
    2.1624    7.2208    6.9550 Cl  0  0  0  0  0
    3.8855    1.7381   -1.0326 N   0  0  0  0  0
    4.9586    2.5995   -1.0188 C   0  0  0  0  0
    4.8312    3.8201   -1.0188 O   0  0  0  0  0
    6.3127    1.8942   -1.0494 C   0  0  0  0  0
    6.4604    1.0936   -2.3441 C   0  0  0  0  0
    7.4564    2.8994   -0.9251 C   0  0  0  0  0
    0.1712    3.0658   -2.4196 H   0  0  0  0  0
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    1.7624    0.4675   -2.1016 H   0  0  0  0  0
    2.4747    2.9733   -3.7190 H   0  0  0  0  0
    1.8516    1.4619   -4.4042 H   0  0  0  0  0
    3.4269    1.4821   -3.6154 H   0  0  0  0  0
    2.5272    3.2979   -1.1829 H   0  0  0  0  0
    0.9137    4.2232   -0.5260 H   0  0  0  0  0
    1.7317    4.5596    0.9886 H   0  0  0  0  0
   -0.3820    5.8526    0.8248 H   0  0  0  0  0
   -1.2557    4.4106    0.3548 H   0  0  0  0  0
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    1.2673    2.6038    2.9379 H   0  0  0  0  0
    0.3798    1.2144    2.3103 H   0  0  0  0  0
    1.3499    6.2765    2.2976 H   0  0  0  0  0
    2.5435    7.3303    4.1306 H   0  0  0  0  0
   -0.0844    5.4607    6.9710 H   0  0  0  0  0
   -1.2974    4.3673    5.1414 H   0  0  0  0  0
    4.0219    0.7848   -0.7114 H   0  0  0  0  0
    6.3568    1.2110   -0.1925 H   0  0  0  0  0
    6.3469    1.7401   -3.2219 H   0  0  0  0  0
    5.7013    0.3076   -2.4174 H   0  0  0  0  0
    7.4419    0.6117   -2.3987 H   0  0  0  0  0
    7.4431    3.6237   -1.7476 H   0  0  0  0  0
    8.4267    2.3917   -0.9375 H   0  0  0  0  0
    7.3814    3.4613    0.0120 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4 20  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
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 13 14  2  0  0  0
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 20 21  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2180537

>  <PubChem CID>
24759740

>  <Formula>
C20H29ClN2O2

>  <Molecular Weight>
364.914000

>  <IUPAC Name>
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylpropanamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)C(C(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl)NC(=O)C(C)C

>  <Isomeric SMILES>
CC(C)C(C(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl)NC(=O)C(C)C

>  <InChI Std. ID>
InChI=1S/C20H29ClN2O2/c1-13(2)18(22-19(24)14(3)4)20(25)23-11-9-16(10-12-23)15-5-7-17(21)8-6-15/h5-8,13-14,16,18H,9-12H2,1-4H3,(H,22,24)

>  <InChI Key>
BLASTQMPHSPAPH-UHFFFAOYSA-N

