ChemSpider 2D Image | 1-[2-(1-{[1-(Cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-piperidinyl)ethyl]-2-pyrrolidinone | C21H33N5O2

1-[2-(1-{[1-(Cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-piperidinyl)ethyl]-2-pyrrolidinone

  • Molecular FormulaC21H33N5O2
  • Average mass387.519 Da
  • Monoisotopic mass387.263428 Da
  • ChemSpider ID22248047

More details:

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

1-[2-(1-{[1-(Cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-piperidinyl)ethyl]-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-[2-(1-{[1-(Cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-piperidinyl)ethyl]-2-pyrrolidinone [ACD/IUPAC Name]
1-[2-(1-{[1-(Cyclohexylméthyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-pipéridinyl)éthyl]-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[2-[1-[[1-(cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl]-4-piperidinyl]ethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.8±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.2±30.4 °C
Index of Refraction: 1.666
Molar Refractivity: 108.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.59
ACD/KOC (pH 5.5): 270.96
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.59
ACD/KOC (pH 7.4): 270.96
Polar Surface Area: 71 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 292.8±7.0 cm3

Click to predict properties on the Chemicalize site


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