ChemSpider 2D Image | {4-[phenyl(propanoyl)amino]-1-[2-(2H-tetrazol-2-yl)ethyl]piperidin-4-yl}methyl acetate | C20H28N6O3

{4-[phenyl(propanoyl)amino]-1-[2-(2H-tetrazol-2-yl)ethyl]piperidin-4-yl}methyl acetate

  • Molecular FormulaC20H28N6O3
  • Average mass400.475 Da
  • Monoisotopic mass400.222290 Da
  • ChemSpider ID23239922

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{4-[phenyl(propanoyl)amino]-1-[2-(2H-tetrazol-2-yl)ethyl]piperidin-4-yl}methyl acetate
{4-[Phenyl(propionyl)amino]-1-[2-(2H-tetrazol-2-yl)ethyl]-4-piperidinyl}methyl acetate [ACD/IUPAC Name]
{4-[Phenyl(propionyl)amino]-1-[2-(2H-tetrazol-2-yl)ethyl]-4-piperidinyl}methyl-acetat [German] [ACD/IUPAC Name]
Acétate de {4-[phényl(propionyl)amino]-1-[2-(2H-tétrazol-2-yl)éthyl]-4-pipéridinyl}méthyle [French] [ACD/IUPAC Name]
Propanamide, N-[4-[(acetyloxy)methyl]-1-[2-(2H-tetrazol-2-yl)ethyl]-4-piperidinyl]-N-phenyl- [ACD/Index Name]
Acetic acid 4-(phenyl-propionyl-amino)-1-(2-tetrazol-2-yl-ethyl)-piperidin-4-ylmethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL366436/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 551.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.2±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 111.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 25.78
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.34
ACD/KOC (pH 7.4): 168.69
Polar Surface Area: 93 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 320.0±7.0 cm3

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