Chemical Component Summary

Name(3S,5R)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-N-(3-methylbutyl)piperidine-3-carboxamide
Identifiers(3S,5R)-5-[[4-(2-chlorophenyl)-2,2-dimethyl-5-oxidanylidene-piperazin-1-yl]methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
FormulaC24 H37 Cl N4 O2
Molecular Weight449.029
TypeNON-POLYMER
Isomeric SMILESCC(C)CCNC(=O)[C@H]1C[C@H](CNC1)CN2CC(=O)N(CC2(C)C)c3ccccc3Cl
InChIInChI=1S/C24H37ClN4O2/c1-17(2)9-10-27-23(31)19-11-18(12-26-13-19)14-28-15-22(30)29(16-24(28,3)4)21-8-6-5-7-20(21)25/h5-8,17-19,26H,9-16H2,1-4H3,(H,27,31)/t18-,19+/m1/s1
InChIKeyXGYKQWJDBJCEAW-MOPGFXCFSA-N

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count2
Bond Count70
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL2204736
PubChem 70679349
ChEMBL CHEMBL2204736