ChemSpider 2D Image | N-({1-[2-(2-Methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide | C21H31N5O2

N-({1-[2-(2-Methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide

  • Molecular FormulaC21H31N5O2
  • Average mass385.503 Da
  • Monoisotopic mass385.247772 Da
  • ChemSpider ID22241860

More details:

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

1H-1,2,4-Triazole-1-propanamide, N-[[1-[2-(2-methoxyphenyl)ethyl]-3-piperidinyl]methyl]-N-methyl- [ACD/Index Name]
N-({1-[2-(2-Methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-3-(1H-1,2,4-triazol-1-yl)propanamid [German] [ACD/IUPAC Name]
N-({1-[2-(2-Methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-3-(1H-1,2,4-triazol-1-yl)propanamide [ACD/IUPAC Name]
N-({1-[2-(2-Méthoxyphényl)éthyl]-3-pipéridinyl}méthyl)-N-méthyl-3-(1H-1,2,4-triazol-1-yl)propanamide [French] [ACD/IUPAC 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: 558.7±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.7±32.3 °C
Index of Refraction: 1.594
Molar Refractivity: 111.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.46
Polar Surface Area: 63 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 328.8±7.0 cm3

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