ChemSpider 2D Image | {1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidin-4-yl}methyl propanoate | C28H33N3O5

{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidin-4-yl}methyl propanoate

  • Molecular FormulaC28H33N3O5
  • Average mass491.579 Da
  • Monoisotopic mass491.242035 Da
  • ChemSpider ID23240954

More details:

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

{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidin-4-yl}methyl propanoate
{1-[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-[phenyl(propionyl)amino]-4-piperidinyl}methyl propionate [ACD/IUPAC Name]
{1-[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-[phenyl(propionyl)amino]-4-piperidinyl}methylpropionat [German] [ACD/IUPAC Name]
Propanamide, N-[1-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]-4-[(1-oxopropoxy)methyl]-4-piperidinyl]-N-phenyl- [ACD/Index Name]
Propionate de {1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)éthyl]-4-[phényl(propionyl)amino]-4-pipéridinyl}méthyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL369448/
Propionic acid 1-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-4-(phenyl-propionyl-amino)-piperidin-4-ylmethyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.5±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 12.58
ACD/KOC (pH 5.5): 84.85
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 244.67
ACD/KOC (pH 7.4): 1650.04
Polar Surface Area: 87 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 399.8±3.0 cm3

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