
 CHEMBL553727

 46 47  0  0  0  0  0  0  0  0999 V2000
    0.7243    0.2239   -0.1211 C   0  0  0  0  0
    2.1848    0.1938    0.0686 N   0  0  0  0  0
    2.5863    0.2646    1.4913 C   0  0  0  0  0
    2.3117   -1.0519    2.2416 C   0  0  0  0  0
    3.0195   -2.2155    1.5294 C   0  0  0  0  0
    2.5794   -2.2817    0.0578 C   0  0  0  0  0
    2.8397   -0.9321   -0.6338 C   0  0  0  0  0
    2.7998   -3.5327    2.2338 C   0  0  0  0  0
    1.7204   -4.0873    2.3824 O   0  0  0  0  0
    3.9647   -4.0303    2.6650 N   0  0  0  0  0
    4.9128   -3.1626    2.3020 C   0  0  0  0  0
    6.1025   -3.3149    2.5325 O   0  0  0  0  0
    4.4117   -2.0962    1.6398 O   0  0  0  0  0
    4.1603   -5.2900    3.3671 C   0  0  0  0  0
    3.4230   -5.2889    4.7186 C   0  0  0  0  0
    3.6448   -6.5350    5.4942 N   0  0  0  0  0
    3.1106   -6.4209    6.8687 C   0  0  0  0  0
    1.5705   -6.5058    6.8799 C   0  0  0  0  0
    1.1284   -7.7178    6.2974 O   0  0  0  0  0
    1.5580   -7.7875    4.9507 C   0  0  0  0  0
    3.0939   -7.7609    4.8721 C   0  0  0  0  0
    2.1390    3.8265    0.2456 Cl  0  0  0  0  0
    0.4836    0.2685   -1.2043 H   0  0  0  0  0
    0.2999    1.1368    0.3480 H   0  0  0  0  0
    0.2227   -0.6626    0.3161 H   0  0  0  0  0
    2.0657    1.1048    1.9997 H   0  0  0  0  0
    3.6752    0.4869    1.5414 H   0  0  0  0  0
    2.6696   -0.9661    3.2910 H   0  0  0  0  0
    1.2183   -1.2416    2.2744 H   0  0  0  0  0
    3.1281   -3.0890   -0.4750 H   0  0  0  0  0
    1.4962   -2.5225    0.0051 H   0  0  0  0  0
    3.9358   -0.7475   -0.6563 H   0  0  0  0  0
    2.5006   -0.9798   -1.6916 H   0  0  0  0  0
    5.2418   -5.4646    3.5584 H   0  0  0  0  0
    3.7918   -6.0991    2.7076 H   0  0  0  0  0
    2.3436   -5.1054    4.5615 H   0  0  0  0  0
    3.8250   -4.4283    5.2987 H   0  0  0  0  0
    3.4497   -5.4794    7.3526 H   0  0  0  0  0
    3.5106   -7.2607    7.4789 H   0  0  0  0  0
    1.2253   -6.4779    7.9347 H   0  0  0  0  0
    1.0975   -5.6349    6.3756 H   0  0  0  0  0
    1.2030   -8.7466    4.5192 H   0  0  0  0  0
    1.0917   -6.9808    4.3430 H   0  0  0  0  0
    3.4829   -8.6445    5.4248 H   0  0  0  0  0
    3.4346   -7.8877    3.8275 H   0  0  0  0  0
    2.1905    2.9986   -0.8517 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  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
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 19 20  1  0  0  0
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 22 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL553727

>  <PubChem CID>
45260750

>  <Formula>
C14H24ClN3O4

>  <Molecular Weight>
333.813000

>  <IUPAC Name>
8-methyl-3-(2-morpholin-4-ylethyl)-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCC2(CC1)C(=O)N(C(=O)O2)CCN3CCOCC3.Cl

>  <Isomeric SMILES>
CN1CCC2(CC1)C(=O)N(C(=O)O2)CCN3CCOCC3.Cl

>  <InChI Std. ID>
InChI=1S/C14H23N3O4.ClH/c1-15-4-2-14(3-5-15)12(18)17(13(19)21-14)7-6-16-8-10-20-11-9-16;/h2-11H2,1H3;1H

>  <InChI Key>
BWDOZOPVKIQUTK-UHFFFAOYSA-N

