ChemSpider 2D Image | 4-[4-(4-Acetylphenyl)-1-piperazinyl]-N-[4-methyl-2-(1-piperidinyl)-6-quinolinyl]-4-oxobutanamide | C31H37N5O3

4-[4-(4-Acetylphenyl)-1-piperazinyl]-N-[4-methyl-2-(1-piperidinyl)-6-quinolinyl]-4-oxobutanamide

  • Molecular FormulaC31H37N5O3
  • Average mass527.657 Da
  • Monoisotopic mass527.289612 Da
  • ChemSpider ID13120196

More details:

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

1-Piperazinebutanamide, 4-(4-acetylphenyl)-N-[4-methyl-2-(1-piperidinyl)-6-quinolinyl]-γ-oxo- [ACD/Index Name]
4-[4-(4-Acetylphenyl)-1-piperazinyl]-N-[4-methyl-2-(1-piperidinyl)-6-chinolinyl]-4-oxobutanamid [German] [ACD/IUPAC Name]
4-[4-(4-Acétylphényl)-1-pipérazinyl]-N-[4-méthyl-2-(1-pipéridinyl)-6-quinoléinyl]-4-oxobutanamide [French] [ACD/IUPAC Name]
4-[4-(4-Acetylphenyl)-1-piperazinyl]-N-[4-methyl-2-(1-piperidinyl)-6-quinolinyl]-4-oxobutanamide [ACD/IUPAC Name]
4-[4-(4-ACETYLPHENYL)PIPERAZIN-1-YL]-N-[4-METHYL-2-(PIPERIDIN-1-YL)QUINOLIN-6-YL]-4-OXOBUTANAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 836.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 459.5±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 153.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 112.36
ACD/KOC (pH 5.5): 671.60
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 471.90
ACD/KOC (pH 7.4): 2820.65
Polar Surface Area: 86 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 425.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement