ChemSpider 2D Image | 1-[2-(3-Fluorophenyl)ethyl]-N-isopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide | C22H29FN4O2

1-[2-(3-Fluorophenyl)ethyl]-N-isopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID23069919

More details:

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

1-[2-(3-Fluorophenyl)ethyl]-N-isopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide [ACD/IUPAC Name]
1-[2-(3-Fluorophényl)éthyl]-N-isopropyl-N-[(1-méthyl-1H-pyrazol-4-yl)méthyl]-6-oxo-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-[2-(3-Fluorphenyl)ethyl]-N-isopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidincarboxamid [German] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 1-[2-(3-fluorophenyl)ethyl]-N-(1-methylethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo- [ACD/Index Name]
1-[2-(3-FLUOROPHENYL)ETHYL]-N-[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]-6-OXO-N-(PROPAN-2-YL)PIPERIDINE-3-CARBOXAMIDE
1-[2-(3-FLUOROPHENYL)ETHYL]-N-ISOPROPYL-N-[(1-METHYLPYRAZOL-4-YL)METHYL]-6-OXOPIPERIDINE-3-CARBOXAMIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 604.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.5±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 112.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.62
ACD/KOC (pH 5.5): 466.92
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.62
ACD/KOC (pH 7.4): 467.00
Polar Surface Area: 58 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 333.0±7.0 cm3

Click to predict properties on the Chemicalize site


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