1-{2-[(3S)-3-(3,4-Dichlorophenyl)-1-(3,4,5-Trimethoxybenzoyl)-3-Pyrrolidinyl]Ethyl}-4-Phenyl-4-Piperidinecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C34H39Cl2N3O5
IUPAC Name 1-[2-[(3s)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Molecular Mass 640.597 g·mol−1
Heat of Formation -647.8 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 736.92 Å 3
Surface Area 572.13 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-[(3s)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenyl-isonipecotamide
  • 1-[2-[(3s)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenyl-piperidine-4-carboxamide
  • 1-[2-[(3s)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]-4-phenyl-piperidine-4-carboxamide
  • 1-[2-[(3s)-3-(3,4-dichlorophenyl)-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-pyrrolidinyl]ethyl]-4-phenyl-4-piperidinecarboxamide
  • pdsp1_000660
InChIKey WZMVQZJKOVPVGZ-MGBGTMOVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl