
 CHEMBL3124968

 60 63  0  0  0  0  0  0  0  0999 V2000
    3.7221    1.5717   -7.7023 C   0  0  0  0  0
    3.9416    3.0210   -7.2357 C   0  0  0  0  0
    3.5584    3.9435   -8.4051 C   0  0  0  0  0
    3.1785    3.3096   -5.9926 N   0  0  0  0  0
    3.2082    4.7505   -5.6264 C   0  0  0  0  0
    2.5062    5.0650   -4.2838 C   0  0  0  0  0
    3.0525    4.2293   -3.2210 N   0  0  0  0  0
    2.9693    2.8076   -3.5258 C   0  0  0  0  0
    3.6871    2.4954   -4.8514 C   0  0  0  0  0
    4.0387    4.6592   -2.3415 C   0  0  0  0  0
    4.8496    3.8991   -1.8222 O   0  0  0  0  0
    4.0492    6.1128   -1.9941 C   0  0  0  0  0
    5.0051    6.5923   -0.9259 C   0  0  0  0  0
    5.2005    7.0466   -2.3561 C   0  0  0  0  0
    4.9249    8.5050   -2.6426 C   0  0  0  0  0
    6.1642    9.3545   -2.2810 C   0  0  0  0  0
    7.4875    8.7620   -2.6194 N   0  0  0  0  0
    7.2991    7.6825   -3.6109 C   0  0  0  0  0
    6.4070    6.5235   -3.1185 C   0  0  0  0  0
    8.2542    8.3472   -1.4084 C   0  0  0  0  0
    9.5767    7.6059   -1.7138 C   0  0  0  0  0
   10.6123    8.5425   -2.3224 C   0  0  0  0  0
   10.8929    9.6211   -1.4297 O   0  0  0  0  0
    9.7286   10.4035   -1.1650 C   0  0  0  0  0
    8.6433    9.5528   -0.5183 C   0  0  0  0  0
    4.1442    0.8442   -7.0030 H   0  0  0  0  0
    4.2140    1.3945   -8.6655 H   0  0  0  0  0
    2.6558    1.3519   -7.8272 H   0  0  0  0  0
    5.0145    3.1611   -7.0474 H   0  0  0  0  0
    2.4782    3.9298   -8.5871 H   0  0  0  0  0
    4.0573    3.6286   -9.3287 H   0  0  0  0  0
    3.8688    4.9774   -8.2234 H   0  0  0  0  0
    2.6931    5.3422   -6.3906 H   0  0  0  0  0
    4.2482    5.0967   -5.5723 H   0  0  0  0  0
    2.6163    6.1287   -4.0609 H   0  0  0  0  0
    1.4337    4.8477   -4.3590 H   0  0  0  0  0
    3.3981    2.2091   -2.7152 H   0  0  0  0  0
    1.9066    2.5448   -3.5991 H   0  0  0  0  0
    4.7642    2.6655   -4.7236 H   0  0  0  0  0
    3.5355    1.4295   -5.0466 H   0  0  0  0  0
    3.0559    6.5477   -1.9257 H   0  0  0  0  0
    4.6273    7.2971   -0.1934 H   0  0  0  0  0
    5.7086    5.8816   -0.5025 H   0  0  0  0  0
    4.6805    8.6242   -3.7055 H   0  0  0  0  0
    4.0568    8.8710   -2.0813 H   0  0  0  0  0
    6.0843   10.3168   -2.8011 H   0  0  0  0  0
    6.0872    9.5878   -1.2144 H   0  0  0  0  0
    8.2533    7.2971   -3.9839 H   0  0  0  0  0
    6.8402    8.1281   -4.5052 H   0  0  0  0  0
    6.0715    5.9496   -3.9900 H   0  0  0  0  0
    6.9968    5.8467   -2.4900 H   0  0  0  0  0
    7.6319    7.6728   -0.8083 H   0  0  0  0  0
    9.4298    6.7264   -2.3465 H   0  0  0  0  0
    9.9734    7.2225   -0.7635 H   0  0  0  0  0
   11.5496    8.0008   -2.4843 H   0  0  0  0  0
   10.2913    8.9410   -3.2914 H   0  0  0  0  0
   10.0228   11.2042   -0.4785 H   0  0  0  0  0
    9.3821   10.8754   -2.0911 H   0  0  0  0  0
    9.0305    9.1560    0.4304 H   0  0  0  0  0
    7.7902   10.1829   -0.2542 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  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
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 14 19  1  0  0  0
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 20 21  1  0  0  0
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 21 22  1  0  0  0
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 23 24  1  0  0  0
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 24 57  1  0  0  0
 24 58  1  0  0  0
 25 59  1  0  0  0
 25 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3124968

>  <PubChem CID>
76314722

>  <Formula>
C20H35N3O2

>  <Molecular Weight>
349.519000

>  <IUPAC Name>
[(2S)-6-(oxan-4-yl)-6-azaspiro[2.5]octan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)N1CCN(CC1)C(=O)C2CC23CCN(CC3)C4CCOCC4

>  <Isomeric SMILES>
CC(C)N1CCN(CC1)C(=O)[C@H]2CC23CCN(CC3)C4CCOCC4

>  <InChI Std. ID>
InChI=1S/C20H35N3O2/c1-16(2)21-9-11-23(12-10-21)19(24)18-15-20(18)5-7-22(8-6-20)17-3-13-25-14-4-17/h16-18H,3-15H2,1-2H3/t18-/m1/s1

>  <InChI Key>
BNSBTAITEDOQSS-GOSISDBHSA-N

