
 CHEMBL110188

 51 53  0  0  0  0  0  0  0  0999 V2000
    2.5349   -0.9402   -0.0231 C   0  0  0  0  0
    3.9495   -0.4273   -0.0795 C   0  0  0  0  0
    4.4427   -0.0685   -1.1507 O   0  0  0  0  0
    4.7518   -0.4980    1.2207 C   0  0  0  0  0
    5.7473    0.5481    1.3777 N   0  0  0  0  0
    6.7817    0.7658    0.4282 C   0  0  0  0  0
    7.7040    1.7102    1.0718 N   0  0  0  0  0
    6.8634    2.5282    2.0209 C   0  0  0  0  0
    5.6451    1.5923    2.2584 C   0  0  0  0  0
    4.7336    1.7509    3.0608 O   0  0  0  0  0
    6.2370    3.8427    1.4955 C   0  0  0  0  0
    6.9348    5.1206    1.9474 C   0  0  0  0  0
    7.2621    5.1636    3.3720 N   0  0  0  0  0
    8.1064    4.0335    3.7547 C   0  0  0  0  0
    7.5364    2.6604    3.4117 C   0  0  0  0  0
    6.0788    5.2813    4.2222 C   0  0  0  0  0
    8.5654    2.3775    0.0661 C   0  0  0  0  0
    9.7548    3.1526    0.6619 C   0  0  0  0  0
   10.7803    2.2535    1.3496 C   0  0  0  0  0
   11.3265    1.2011    0.3910 C   0  0  0  0  0
   10.2075    0.4307   -0.3016 C   0  0  0  0  0
    9.1980    1.3797   -0.9520 C   0  0  0  0  0
    2.5443   -2.0140    0.1784 H   0  0  0  0  0
    2.0411   -0.7604   -0.9826 H   0  0  0  0  0
    1.9809   -0.4121    0.7563 H   0  0  0  0  0
    5.2611   -1.4664    1.2557 H   0  0  0  0  0
    4.0535   -0.4476    2.0625 H   0  0  0  0  0
    7.2608   -0.1918    0.2050 H   0  0  0  0  0
    6.3399    1.2043   -0.4720 H   0  0  0  0  0
    6.1650    3.8345    0.4017 H   0  0  0  0  0
    5.1894    3.9182    1.8196 H   0  0  0  0  0
    7.8460    5.2758    1.3624 H   0  0  0  0  0
    6.3034    5.9815    1.6912 H   0  0  0  0  0
    8.3117    4.0736    4.8330 H   0  0  0  0  0
    9.0940    4.1570    3.3039 H   0  0  0  0  0
    8.3338    1.9133    3.5197 H   0  0  0  0  0
    6.8254    2.4019    4.2082 H   0  0  0  0  0
    5.5051    6.1759    3.9563 H   0  0  0  0  0
    6.3758    5.4049    5.2700 H   0  0  0  0  0
    5.4122    4.4158    4.1591 H   0  0  0  0  0
    7.9605    3.0766   -0.5229 H   0  0  0  0  0
    9.4248    3.9235    1.3471 H   0  0  0  0  0
   10.2586    3.6978   -0.1488 H   0  0  0  0  0
   11.6075    2.8659    1.7265 H   0  0  0  0  0
   10.3302    1.7614    2.2183 H   0  0  0  0  0
   11.9478    1.6930   -0.3679 H   0  0  0  0  0
   11.9784    0.5068    0.9328 H   0  0  0  0  0
   10.6375   -0.2265   -1.0660 H   0  0  0  0  0
    9.7051   -0.2174    0.4256 H   0  0  0  0  0
    9.7119    1.9562   -1.7338 H   0  0  0  0  0
    8.4359    0.8016   -1.4855 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8 11  1  0  0  0
  8 15  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
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 12 33  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
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 14 34  1  0  0  0
 14 35  1  0  0  0
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 15 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL110188

>  <PubChem CID>
44337490

>  <Formula>
C17H29N3O2

>  <Molecular Weight>
307.438000

>  <IUPAC Name>
1-cyclohexyl-8-methyl-3-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decan-4-one

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)CN1CN(C2(C1=O)CCN(CC2)C)C3CCCCC3

>  <Isomeric SMILES>
CC(=O)CN1CN(C2(C1=O)CCN(CC2)C)C3CCCCC3

>  <InChI Std. ID>
InChI=1S/C17H29N3O2/c1-14(21)12-19-13-20(15-6-4-3-5-7-15)17(16(19)22)8-10-18(2)11-9-17/h15H,3-13H2,1-2H3

>  <InChI Key>
BYEAJQDVLRJCFO-UHFFFAOYSA-N

