ChemSpider 2D Image | Methyl 3-oxo-3-[2-(1-piperidinyl)-5-pyrimidinyl]propanoate | C13H17N3O3

Methyl 3-oxo-3-[2-(1-piperidinyl)-5-pyrimidinyl]propanoate

  • Molecular FormulaC13H17N3O3
  • Average mass263.292 Da
  • Monoisotopic mass263.126984 Da
  • ChemSpider ID26457744

More details:

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

1306739-54-7 [RN]
3-Oxo-3-[2-(1-pipéridinyl)-5-pyrimidinyl]propanoate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinepropanoic acid, β-oxo-2-(1-piperidinyl)-, methyl ester [ACD/Index Name]
Methyl 3-oxo-3-[2-(1-piperidinyl)-5-pyrimidinyl]propanoate [ACD/IUPAC Name]
methyl 3-oxo-3-[2-(piperidin-1-yl)pyrimidin-5-yl]propanoate
Methyl-3-oxo-3-[2-(1-piperidinyl)-5-pyrimidinyl]propanoat [German] [ACD/IUPAC Name]
3-Oxo-3-(2-piperidin-1-yl-pyrimidin-5-yl)-propionic acid methyl ester
5-pyrimidinepropanoic acid, β-oxo-2-(1-piperidinyl), methyl ester
AGN-PC-0BHQ53
AKOS015831151
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 422.0±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.6±3.0 kJ/mol
    Flash Point: 209.0±28.2 °C
    Index of Refraction: 1.545
    Molar Refractivity: 68.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): 1.76
    ACD/BCF (pH 5.5): 12.88
    ACD/KOC (pH 5.5): 216.45
    ACD/LogD (pH 7.4): 1.77
    ACD/BCF (pH 7.4): 12.95
    ACD/KOC (pH 7.4): 217.67
    Polar Surface Area: 72 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 52.2±3.0 dyne/cm
    Molar Volume: 216.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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