N-{1-[(Cyanomethyl)Carbamoyl]Cyclohexyl}-4-(4-Propyl-1-Piperazinyl)Benzamide

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Properties Simple | Detailed

Formula C23H33N5O2
IUPAC Name n-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide
Molecular Mass 411.540 g·mol−1
Heat of Formation -186.8 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 520.52 Å 3
Surface Area 447.3 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • n-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide
  • n-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(4-propyl-1-piperazinyl)benzamide
InChIKey LLCRBOWRJOUJAE-UHFFFAOYSA-N
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