ChemSpider 2D Image | N-(2-Chlorobenzyl)-3-{1-[4-(1H-pyrazol-1-yl)benzyl]-3-piperidinyl}propanamide | C25H29ClN4O

N-(2-Chlorobenzyl)-3-{1-[4-(1H-pyrazol-1-yl)benzyl]-3-piperidinyl}propanamide

  • Molecular FormulaC25H29ClN4O
  • Average mass436.977 Da
  • Monoisotopic mass436.203003 Da
  • ChemSpider ID22184285

More details:

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

3-Piperidinepropanamide, N-[(2-chlorophenyl)methyl]-1-[[4-(1H-pyrazol-1-yl)phenyl]methyl]- [ACD/Index Name]
N-(2-Chlorbenzyl)-3-{1-[4-(1H-pyrazol-1-yl)benzyl]-3-piperidinyl}propanamid [German] [ACD/IUPAC Name]
N-(2-Chlorobenzyl)-3-{1-[4-(1H-pyrazol-1-yl)benzyl]-3-piperidinyl}propanamide [ACD/IUPAC Name]
N-(2-Chlorobenzyl)-3-{1-[4-(1H-pyrazol-1-yl)benzyl]-3-pipéridinyl}propanamide [French] [ACD/IUPAC Name]
N-[(2-CHLOROPHENYL)METHYL]-3-(1-{[4-(1H-PYRAZOL-1-YL)PHENYL]METHYL}PIPERIDIN-3-YL)PROPANAMIDE
N-[(2-CHLOROPHENYL)METHYL]-3-(1-{[4-(PYRAZOL-1-YL)PHENYL]METHYL}PIPERIDIN-3-YL)PROPANAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 623.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.9±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 2.32
ACD/KOC (pH 5.5): 9.78
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 76.02
ACD/KOC (pH 7.4): 320.40
Polar Surface Area: 50 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 358.3±7.0 cm3

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