ChemSpider 2D Image | 3-(1-Azepanylcarbonyl)-1-isobutyl-5-[(3-phenyl-1-piperidinyl)carbonyl]-4(1H)-pyridinone | C28H37N3O3

3-(1-Azepanylcarbonyl)-1-isobutyl-5-[(3-phenyl-1-piperidinyl)carbonyl]-4(1H)-pyridinone

  • Molecular FormulaC28H37N3O3
  • Average mass463.612 Da
  • Monoisotopic mass463.283478 Da
  • ChemSpider ID22239035

More details:

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

3-(1-Azepanylcarbonyl)-1-isobutyl-5-[(3-phenyl-1-piperidinyl)carbonyl]-4(1H)-pyridinon [German] [ACD/IUPAC Name]
3-(1-Azepanylcarbonyl)-1-isobutyl-5-[(3-phenyl-1-piperidinyl)carbonyl]-4(1H)-pyridinone [ACD/IUPAC Name]
3-(1-Azépanylcarbonyl)-1-isobutyl-5-[(3-phényl-1-pipéridinyl)carbonyl]-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 3-[(hexahydro-1H-azepin-1-yl)carbonyl]-1-(2-methylpropyl)-5-[(3-phenyl-1-piperidinyl)carbonyl]- [ACD/Index Name]
3-(AZEPANE-1-CARBONYL)-1-(2-METHYLPROPYL)-5-(3-PHENYLPIPERIDINE-1-CARBONYL)PYRIDIN-4-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 287.7±23.9 °C
Index of Refraction: 1.575
Molar Refractivity: 132.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.47
ACD/KOC (pH 5.5): 916.31
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.47
ACD/KOC (pH 7.4): 916.33
Polar Surface Area: 61 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 399.1±3.0 cm3

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