N-{1-[2-(4-Ethyl-5-Oxo-4,5-Dihydro-1H-Tetrazol-1-Yl)Ethyl]-4-Phenyl-4-Piperidinyl}-N-(2-Fluorophenyl)Propanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C25H31FN6O2
IUPAC Name n-[1-[2-(4-ethyl-5-oxo-tetrazole-1,4-diium-1-yl)ethyl]-4-phenyl-4-piperidyl]-n-(2-fluorophenyl)propanamide
Molecular Mass 466.551 g·mol−1
Heat of Formation -127.0 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 562.69 Å 3
Surface Area 455.82 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
Synonyms
  • n-[1-[2-(4-ethyl-5-keto-tetrazol-1-yl)ethyl]-4-phenyl-4-piperidyl]-n-(2-fluorophenyl)propionamide
  • n-[1-[2-(4-ethyl-5-oxo-1,2,3,4-tetrazol-1-yl)ethyl]-4-phenyl-piperidin-4-yl]-n-(2-fluorophenyl)propanamide
  • n-[1-[2-(4-ethyl-5-oxo-1-tetrazolyl)ethyl]-4-phenyl-4-piperidinyl]-n-(2-fluorophenyl)propanamide
  • n-[1-[2-(4-ethyl-5-oxo-tetrazol-1-yl)ethyl]-4-phenyl-4-piperidyl]-n-(2-fluorophenyl)propanamide
  • n-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-n-(2-fluorophenyl)propanamide
CAS Number(s)
  • 120656-74-8
InChIKey RJSCINHYBGMIFT-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F