ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-1-piperidinecarboxylate | C22H26FN3O3

2-Methyl-2-propanyl 4-[(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-1-piperidinecarboxylate

  • Molecular FormulaC22H26FN3O3
  • Average mass399.458 Da
  • Monoisotopic mass399.195831 Da
  • ChemSpider ID68014791

More details:

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

1-Piperidinecarboxylic acid, 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(6-fluor-5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[2-(6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)acétyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Boc-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)acetyl]piperidine
2155874-61-4 [RN]
atoms 29 bonds 32
CS-12709
MFCD31567225

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 577.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.4±3.0 kJ/mol
    Flash Point: 303.0±30.1 °C
    Index of Refraction: 1.622
    Molar Refractivity: 107.6±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.51
    ACD/LogD (pH 5.5): 2.94
    ACD/BCF (pH 5.5): 87.41
    ACD/KOC (pH 5.5): 722.69
    ACD/LogD (pH 7.4): 3.19
    ACD/BCF (pH 7.4): 155.63
    ACD/KOC (pH 7.4): 1286.68
    Polar Surface Area: 64 Å2
    Polarizability: 42.7±0.5 10-24cm3
    Surface Tension: 46.0±7.0 dyne/cm
    Molar Volume: 305.5±7.0 cm3

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