
 CHEMBL107234

 44 45  0  0  0  0  0  0  0  0999 V2000
    2.1187    0.3503   -2.9758 C   0  0  0  0  0
    3.1021    0.4860   -1.8205 C   0  0  0  0  0
    3.8776    1.8103   -1.9086 C   0  0  0  0  0
    4.7424    2.0624   -0.7354 N   0  0  0  0  0
    5.8732    1.1152   -0.7143 C   0  0  0  0  0
    6.9645    1.8104   -1.3227 N   0  0  0  0  0
    6.7085    3.1515   -1.5007 C   0  0  0  0  0
    7.4304    3.9394   -2.0843 O   0  0  0  0  0
    5.3930    3.4315   -0.7578 C   0  0  0  0  0
    4.5841    4.5649   -1.4136 C   0  0  0  0  0
    5.1866    5.9551   -1.1807 C   0  0  0  0  0
    5.4711    6.2599    0.2235 N   0  0  0  0  0
    6.3055    5.2204    0.8269 C   0  0  0  0  0
    5.7257    3.8081    0.7070 C   0  0  0  0  0
    4.2644    6.5340    0.9984 C   0  0  0  0  0
    8.1361    1.1332   -1.8347 C   0  0  0  0  0
    7.8961    0.5228   -3.2124 C   0  0  0  0  0
    6.8065    0.0628   -3.5586 O   0  0  0  0  0
    9.1017    0.4254   -4.1111 C   0  0  0  0  0
    1.5955   -0.6093   -2.9182 H   0  0  0  0  0
    2.6365    0.3982   -3.9392 H   0  0  0  0  0
    1.3686    1.1472   -2.9482 H   0  0  0  0  0
    3.7769   -0.3754   -1.8487 H   0  0  0  0  0
    2.5508    0.4367   -0.8740 H   0  0  0  0  0
    3.1133    2.5933   -1.9643 H   0  0  0  0  0
    4.4506    1.8488   -2.8441 H   0  0  0  0  0
    6.1537    0.8862    0.3199 H   0  0  0  0  0
    5.6918    0.1658   -1.2214 H   0  0  0  0  0
    4.5085    4.4104   -2.4974 H   0  0  0  0  0
    3.5614    4.5643   -1.0167 H   0  0  0  0  0
    6.1149    6.0585   -1.7544 H   0  0  0  0  0
    4.5139    6.7146   -1.5993 H   0  0  0  0  0
    6.4873    5.4520    1.8838 H   0  0  0  0  0
    7.2963    5.2499    0.3558 H   0  0  0  0  0
    6.4544    3.1141    1.1459 H   0  0  0  0  0
    4.8207    3.7316    1.3239 H   0  0  0  0  0
    3.7143    7.3757    0.5630 H   0  0  0  0  0
    4.5277    6.8325    2.0195 H   0  0  0  0  0
    3.5838    5.6793    1.0594 H   0  0  0  0  0
    8.4363    0.3461   -1.1369 H   0  0  0  0  0
    8.9476    1.8638   -1.9170 H   0  0  0  0  0
    9.4906    1.4263   -4.3127 H   0  0  0  0  0
    8.8202   -0.0412   -5.0589 H   0  0  0  0  0
    9.8670   -0.1868   -3.6276 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 16  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL107234

>  <PubChem CID>
44337466

>  <Formula>
C14H25N3O2

>  <Molecular Weight>
267.373000

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

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN1CN(C(=O)C12CCN(CC2)C)CC(=O)C

>  <Isomeric SMILES>
CCCN1CN(C(=O)C12CCN(CC2)C)CC(=O)C

>  <InChI Std. ID>
InChI=1S/C14H25N3O2/c1-4-7-17-11-16(10-12(2)18)13(19)14(17)5-8-15(3)9-6-14/h4-11H2,1-3H3

>  <InChI Key>
CKJZBWJFHUDRMJ-UHFFFAOYSA-N

