ChemSpider 2D Image | N-Methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-4-(1H-1,2,4-triazol-1-yl)butanamide | C21H31N5O

N-Methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-4-(1H-1,2,4-triazol-1-yl)butanamide

  • Molecular FormulaC21H31N5O
  • Average mass369.504 Da
  • Monoisotopic mass369.252869 Da
  • ChemSpider ID22195436

More details:

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

1H-1,2,4-Triazole-1-butanamide, N-methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]- [ACD/Index Name]
N-Methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-4-(1H-1,2,4-triazol-1-yl)butanamid [German] [ACD/IUPAC Name]
N-Methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-4-(1H-1,2,4-triazol-1-yl)butanamide [ACD/IUPAC Name]
N-Méthyl-N-[1-(3-phénylpropyl)-3-pipéridinyl]-4-(1H-1,2,4-triazol-1-yl)butanamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 569.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.3±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 2.99
ACD/KOC (pH 7.4): 39.76
Polar Surface Area: 54 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 323.2±7.0 cm3

Click to predict properties on the Chemicalize site


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