N-{(2S)-1-[(4-Cyano-1-Methyl-4-Piperidinyl)Amino]-3-Cyclohexyl-1-Oxo-2-Propanyl}-4-Morpholinecarboxamide

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Properties Simple | Detailed

Formula C21H35N5O3
IUPAC Name n-[(1s)-2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide
Molecular Mass 405.534 g·mol−1
Heat of Formation -542.1 ± 16.7 kJ·mol−1
Dipole Moment 7.84 ± 1.08 D
Volume 509.34 Å 3
Surface Area 406.76 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 3.54 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-2-[(4-cyano-1-methyl-4-piperidinyl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]-4-morpholinecarboxamide
  • n-[(1s)-2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]morpholine-4-carboxamide
  • n-[(1s)-2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide
  • n-[(2s)-1-[(4-cyano-1-methyl-piperidin-4-yl)amino]-3-cyclohexyl-1-oxo-propan-2-yl]morpholine-4-carboxamide
  • n-[(2s)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
InChIKey IRSOCWQJNYLTDD-SFHVURJKSA-N
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