ChemSpider 2D Image | 2-[4-(4-Cyano-1-methyl-5,6,7,8-tetrahydro-3-isoquinolinyl)-1-piperazinyl]-N-(3-hydroxypropyl)-2-oxoacetamide | C20H27N5O3

2-[4-(4-Cyano-1-methyl-5,6,7,8-tetrahydro-3-isoquinolinyl)-1-piperazinyl]-N-(3-hydroxypropyl)-2-oxoacetamide

  • Molecular FormulaC20H27N5O3
  • Average mass385.460 Da
  • Monoisotopic mass385.211395 Da
  • ChemSpider ID21631424

More details:






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

1-Piperazineacetamide, 4-(4-cyano-5,6,7,8-tetrahydro-1-methyl-3-isoquinolinyl)-N-(3-hydroxypropyl)-α-oxo- [ACD/Index Name]
2-[4-(4-Cyan-1-methyl-5,6,7,8-tetrahydro-3-isochinolinyl)-1-piperazinyl]-N-(3-hydroxypropyl)-2-oxoacetamid [German] [ACD/IUPAC Name]
2-[4-(4-Cyano-1-méthyl-5,6,7,8-tétrahydro-3-isoquinoléinyl)-1-pipérazinyl]-N-(3-hydroxypropyl)-2-oxoacétamide [French] [ACD/IUPAC Name]
2-[4-(4-Cyano-1-methyl-5,6,7,8-tetrahydro-3-isoquinolinyl)-1-piperazinyl]-N-(3-hydroxypropyl)-2-oxoacetamide [ACD/IUPAC Name]
2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-N-(3-hydroxypropyl)-2-oxoacetamide
929856-65-5 [RN]
C20H27N5O3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 103.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 63.70
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.39
ACD/KOC (pH 7.4): 64.93
Polar Surface Area: 110 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 294.1±5.0 cm3

Click to predict properties on the Chemicalize site






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