ChemSpider 2D Image | 2-[1-(3,4-Dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide | C21H31N3O5

2-[1-(3,4-Dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide

  • Molecular FormulaC21H31N3O5
  • Average mass405.488 Da
  • Monoisotopic mass405.226379 Da
  • ChemSpider ID22192881

More details:

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

2-[1-(3,4-Dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamid [German] [ACD/IUPAC Name]
2-[1-(3,4-Dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide [ACD/IUPAC Name]
2-[1-(3,4-Diméthoxybenzyl)-3-oxo-2-pipérazinyl]-N-méthyl-N-(tétrahydro-2H-pyran-4-yl)acétamide [French] [ACD/IUPAC Name]
2-Piperazineacetamide, 1-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-oxo-N-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 614.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.2±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.75
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.69
Polar Surface Area: 80 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 330.6±5.0 cm3

Click to predict properties on the Chemicalize site


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