ChemSpider 2D Image | Methyl 4-oxo-4-{[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]amino}butanoate | C17H21F3N2O3

Methyl 4-oxo-4-{[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]amino}butanoate

  • Molecular FormulaC17H21F3N2O3
  • Average mass358.355 Da
  • Monoisotopic mass358.150421 Da
  • ChemSpider ID23082951

More details:

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

4-Oxo-4-{[2-(1-pipéridinyl)-5-(trifluorométhyl)phényl]amino}butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-oxo-4-[[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-oxo-4-{[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]amino}butanoate [ACD/IUPAC Name]
methyl 4-oxo-4-{[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]amino}butanoate
Methyl-4-oxo-4-{[2-(1-piperidinyl)-5-(trifluormethyl)phenyl]amino}butanoat [German] [ACD/IUPAC Name]
1199756-36-9 [RN]
METHYL 3-{[2-(PIPERIDIN-1-YL)-5-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}PROPANOATE
methyl 4-oxo-4-((2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)amino)butanoate
methyl 4-oxo-4-{[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]amino}butanoate
N-(2-Piperidin-1-yl-5-trifluoromethyl-phenyl)-succinamic acid methyl ester

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 492.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.9±3.0 kJ/mol
    Flash Point: 251.7±28.7 °C
    Index of Refraction: 1.523
    Molar Refractivity: 86.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.91
    ACD/LogD (pH 5.5): 4.02
    ACD/BCF (pH 5.5): 663.12
    ACD/KOC (pH 5.5): 3617.72
    ACD/LogD (pH 7.4): 4.03
    ACD/BCF (pH 7.4): 678.47
    ACD/KOC (pH 7.4): 3701.49
    Polar Surface Area: 59 Å2
    Polarizability: 34.1±0.5 10-24cm3
    Surface Tension: 43.0±3.0 dyne/cm
    Molar Volume: 281.3±3.0 cm3

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