ChemSpider 2D Image | 1-[2-(3-Fluorophenyl)ethyl]-N-[(3-isobutyl-1,2-oxazol-5-yl)methyl]-6-oxo-3-piperidinecarboxamide | C22H28FN3O3

1-[2-(3-Fluorophenyl)ethyl]-N-[(3-isobutyl-1,2-oxazol-5-yl)methyl]-6-oxo-3-piperidinecarboxamide

  • Molecular FormulaC22H28FN3O3
  • Average mass401.474 Da
  • Monoisotopic mass401.211456 Da
  • ChemSpider ID22138458

More details:

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

1-[2-(3-Fluorophenyl)ethyl]-N-[(3-isobutyl-1,2-oxazol-5-yl)methyl]-6-oxo-3-piperidinecarboxamide [ACD/IUPAC Name]
1-[2-(3-Fluorophényl)éthyl]-N-[(3-isobutyl-1,2-oxazol-5-yl)méthyl]-6-oxo-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-[2-(3-Fluorphenyl)ethyl]-N-[(3-isobutyl-1,2-oxazol-5-yl)methyl]-6-oxo-3-piperidincarboxamid [German] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 1-[2-(3-fluorophenyl)ethyl]-N-[[3-(2-methylpropyl)-5-isoxazolyl]methyl]-6-oxo- [ACD/Index Name]
1-[2-(3-fluorophenyl)ethyl]-N-[(3-isobutyl-5-isoxazolyl)methyl]-6-oxo-3-piperidinecarboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 645.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 343.9±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 232.55
ACD/KOC (pH 5.5): 1720.14
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 232.55
ACD/KOC (pH 7.4): 1720.14
Polar Surface Area: 75 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 339.5±3.0 cm3

Click to predict properties on the Chemicalize site


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