ChemSpider 2D Image | 1-[2-(3-Chlorobenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-methyl-N-(1-methyl-4-piperidinyl)-4-piperidinecarboxamide | C28H33ClN4O3

1-[2-(3-Chlorobenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-methyl-N-(1-methyl-4-piperidinyl)-4-piperidinecarboxamide

  • Molecular FormulaC28H33ClN4O3
  • Average mass509.040 Da
  • Monoisotopic mass508.224121 Da
  • ChemSpider ID22124642

More details:

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

1-[2-(3-Chlorbenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-methyl-N-(1-methyl-4-piperidinyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-[2-(3-Chlorobenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-methyl-N-(1-methyl-4-piperidinyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
1-[2-(3-Chlorobenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-méthyl-N-(1-méthyl-4-pipéridinyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[2-[(3-chlorophenyl)methyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]-N-methyl-N-(1-methyl-4-piperidinyl)- [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: 678.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.9±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 6.65
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 51.51
ACD/KOC (pH 7.4): 318.12
Polar Surface Area: 64 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 381.1±5.0 cm3

Click to predict properties on the Chemicalize site


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