ChemSpider 2D Image | 1-[4-(2-Methoxyphenyl)-1-piperazinyl]-N-[4-(4-methyl-1-piperidinyl)butyl]-4-isoquinolinecarboxamide | C31H41N5O2

1-[4-(2-Methoxyphenyl)-1-piperazinyl]-N-[4-(4-methyl-1-piperidinyl)butyl]-4-isoquinolinecarboxamide

  • Molecular FormulaC31H41N5O2
  • Average mass515.690 Da
  • Monoisotopic mass515.326050 Da
  • ChemSpider ID20223479

More details:

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

1-[4-(2-Methoxyphenyl)-1-piperazinyl]-N-[4-(4-methyl-1-piperidinyl)butyl]-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
1-[4-(2-Méthoxyphényl)-1-pipérazinyl]-N-[4-(4-méthyl-1-pipéridinyl)butyl]-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
1-[4-(2-Methoxyphenyl)-1-piperazinyl]-N-[4-(4-methyl-1-piperidinyl)butyl]-4-isoquinolinecarboxamide [ACD/IUPAC Name]
4-Isoquinolinecarboxamide, 1-[4-(2-methoxyphenyl)-1-piperazinyl]-N-[4-(4-methyl-1-piperidinyl)butyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 741.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 402.2±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 11.45
ACD/KOC (pH 7.4): 38.83
Polar Surface Area: 61 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 451.7±3.0 cm3

Click to predict properties on the Chemicalize site


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