ChemSpider 2D Image | 3-[(4-Benzyl-1-piperidinyl)carbonyl]-2-ethyl-6-methyl-1-[2-(1-piperidinyl)ethyl]-4(1H)-pyridinone | C28H39N3O2

3-[(4-Benzyl-1-piperidinyl)carbonyl]-2-ethyl-6-methyl-1-[2-(1-piperidinyl)ethyl]-4(1H)-pyridinone

  • Molecular FormulaC28H39N3O2
  • Average mass449.628 Da
  • Monoisotopic mass449.304230 Da
  • ChemSpider ID23051357

More details:

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

3-[(4-Benzyl-1-piperidinyl)carbonyl]-2-ethyl-6-methyl-1-[2-(1-piperidinyl)ethyl]-4(1H)-pyridinon [German] [ACD/IUPAC Name]
3-[(4-Benzyl-1-piperidinyl)carbonyl]-2-ethyl-6-methyl-1-[2-(1-piperidinyl)ethyl]-4(1H)-pyridinone [ACD/IUPAC Name]
3-[(4-Benzyl-1-pipéridinyl)carbonyl]-2-éthyl-6-méthyl-1-[2-(1-pipéridinyl)éthyl]-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-ethyl-6-methyl-3-[[4-(phenylmethyl)-1-piperidinyl]carbonyl]-1-[2-(1-piperidinyl)ethyl]- [ACD/Index Name]
3-(4-BENZYLPIPERIDINE-1-CARBONYL)-2-ETHYL-6-METHYL-1-[2-(PIPERIDIN-1-YL)ETHYL]PYRIDIN-4-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 616.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 251.4±23.9 °C
Index of Refraction: 1.565
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.29
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 25.93
ACD/KOC (pH 7.4): 158.46
Polar Surface Area: 44 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 406.4±3.0 cm3

Click to predict properties on the Chemicalize site


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