ChemSpider 2D Image | 1-(1-Benzyl-4-piperidinyl)-3-sec-butyl-8-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one | C31H42N4O2

1-(1-Benzyl-4-piperidinyl)-3-sec-butyl-8-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one

  • Molecular FormulaC31H42N4O2
  • Average mass502.691 Da
  • Monoisotopic mass502.330780 Da
  • ChemSpider ID22635650

More details:

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

1-(1-Benzyl-4-piperidinyl)-3-sec-butyl-8-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]decan-2-on [German] [ACD/IUPAC Name]
1-(1-Benzyl-4-piperidinyl)-3-sec-butyl-8-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one [ACD/IUPAC Name]
1-(1-Benzyl-4-pipéridinyl)-3-sec-butyl-8-(4-méthylbenzoyl)-1,4,8-triazaspiro[4.5]décan-2-one [French] [ACD/IUPAC Name]
1,4,8-Triazaspiro[4.5]decan-2-one, 8-(4-methylbenzoyl)-3-(1-methylpropyl)-1-[1-(phenylmethyl)-4-piperidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 676.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.9±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 148.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 3.95
ACD/KOC (pH 5.5): 22.23
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 194.09
ACD/KOC (pH 7.4): 1092.21
Polar Surface Area: 56 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 424.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement