ChemSpider 2D Image | N-[2-(Dimethylamino)ethyl]-N-methyl-3-{[1-(1H-pyrazol-3-ylmethyl)-4-piperidinyl]oxy}benzamide | C21H31N5O2

N-[2-(Dimethylamino)ethyl]-N-methyl-3-{[1-(1H-pyrazol-3-ylmethyl)-4-piperidinyl]oxy}benzamide

  • Molecular FormulaC21H31N5O2
  • Average mass385.503 Da
  • Monoisotopic mass385.247772 Da
  • ChemSpider ID22248893

More details:

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

Benzamide, N-[2-(dimethylamino)ethyl]-N-methyl-3-[[1-(1H-pyrazol-3-ylmethyl)-4-piperidinyl]oxy]- [ACD/Index Name]
N-[2-(Dimethylamino)ethyl]-N-methyl-3-{[1-(1H-pyrazol-3-ylmethyl)-4-piperidinyl]oxy}benzamid [German] [ACD/IUPAC Name]
N-[2-(Dimethylamino)ethyl]-N-methyl-3-{[1-(1H-pyrazol-3-ylmethyl)-4-piperidinyl]oxy}benzamide [ACD/IUPAC Name]
N-[2-(Diméthylamino)éthyl]-N-méthyl-3-{[1-(1H-pyrazol-3-ylméthyl)-4-pipéridinyl]oxy}benzamide [French] [ACD/IUPAC Name]
N-[2-(DIMETHYLAMINO)ETHYL]-N-METHYL-3-({1-[(1H-PYRAZOL-3-YL)METHYL]PIPERIDIN-4-YL}OXY)BENZAMIDE
N-[2-(DIMETHYLAMINO)ETHYL]-N-METHYL-3-{[1-(1H-PYRAZOL-3-YLMETHYL)PIPERIDIN-4-YL]OXY}BENZAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 580.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.1±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 110.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.46
Polar Surface Area: 65 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 328.9±3.0 cm3

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