ChemSpider 2D Image | N-[3-Methyl-2-(4-methyl-1-piperidinyl)butyl]-4-(6-nitro-3-pyridinyl)-1-piperazinecarboxamide | C21H34N6O3

N-[3-Methyl-2-(4-methyl-1-piperidinyl)butyl]-4-(6-nitro-3-pyridinyl)-1-piperazinecarboxamide

  • Molecular FormulaC21H34N6O3
  • Average mass418.533 Da
  • Monoisotopic mass418.269226 Da
  • ChemSpider ID30009269

More details:

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

1-Piperazinecarboxamide, N-[3-methyl-2-(4-methyl-1-piperidinyl)butyl]-4-(6-nitro-3-pyridinyl)- [ACD/Index Name]
N-[3-Methyl-2-(4-methyl-1-piperidinyl)butyl]-4-(6-nitro-3-pyridinyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-[3-Methyl-2-(4-methyl-1-piperidinyl)butyl]-4-(6-nitro-3-pyridinyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
N-[3-Méthyl-2-(4-méthyl-1-pipéridinyl)butyl]-4-(6-nitro-3-pyridinyl)-1-pipérazinecarboxamide [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: 644.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.6±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 115.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.98
Polar Surface Area: 98 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 355.9±3.0 cm3

Click to predict properties on the Chemicalize site


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