(-)-Cis-3-Methyl-1-Phenethyl-4-(N-Phenylpropionamido)Isonipecotic Acid Methyl Ester

Molecule SVG Image

Properties Simple | Detailed

Formula C25H32N2O3
IUPAC Name methyl (3r,4s)-3-methyl-1-(2-phenylethyl)-4-(n-propanoylanilino)piperidine-4-carboxylate
Molecular Mass 408.533 g·mol−1
Heat of Formation -405.8 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 517.68 Å 3
Surface Area 419.37 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s)-3-methyl-1-(2-phenylethyl)-4-(phenyl-propionyl-amino)isonipecotic acid methyl ester
  • (3r,4s)-3-methyl-4-(1-oxopropyl-phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxylic acid methyl ester
  • methyl (3r,4s)-3-methyl-1-(2-phenylethyl)-4-(phenyl-propanoyl-amino)piperidine-4-carboxylate
  • methyl (3r,4s)-3-methyl-1-(2-phenylethyl)-4-(phenyl-propanoylamino)piperidine-4-carboxylate
InChIKey IMYHGORQCPYVBZ-NLFFAJNJSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N