ChemSpider 2D Image | 1-[2-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-piperidinecarboxamide | C31H35N5O5

1-[2-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-piperidinecarboxamide

  • Molecular FormulaC31H35N5O5
  • Average mass557.640 Da
  • Monoisotopic mass557.263794 Da
  • ChemSpider ID22187435

More details:

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

1-[2-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-piperidincarboxamid [German] [ACD/IUPAC Name]
1-[2-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-piperidinecarboxamide [ACD/IUPAC Name]
1-[2-(2,2-Diméthyltétrahydro-2H-pyran-4-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-méthyl-N-[(5-phényl-1,3,4-oxadiazol-2-yl)méthyl]-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 1-[2,3-dihydro-1,3-dioxo-2-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-1H-isoindol-4-yl]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.8±35.7 °C
Index of Refraction: 1.605
Molar Refractivity: 149.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.95
ACD/KOC (pH 5.5): 750.13
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.96
ACD/KOC (pH 7.4): 750.23
Polar Surface Area: 109 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 434.6±3.0 cm3

Click to predict properties on the Chemicalize site


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