ChemSpider 2D Image | 5-{2-[3-(4-Acetyl-1-piperazinyl)-1-azetidinyl]ethyl}-1-benzyl-5-(3,4-dichlorophenyl)-2-piperidinone | C29H36Cl2N4O2

5-{2-[3-(4-Acetyl-1-piperazinyl)-1-azetidinyl]ethyl}-1-benzyl-5-(3,4-dichlorophenyl)-2-piperidinone

  • Molecular FormulaC29H36Cl2N4O2
  • Average mass543.528 Da
  • Monoisotopic mass542.221558 Da
  • ChemSpider ID9159618

More details:

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

2-Piperidinone, 5-[2-[3-(4-acetyl-1-piperazinyl)-1-azetidinyl]ethyl]-5-(3,4-dichlorophenyl)-1-(phenylmethyl)- [ACD/Index Name]
5-{2-[3-(4-Acetyl-1-piperazinyl)-1-azetidinyl]ethyl}-1-benzyl-5-(3,4-dichlorophenyl)-2-piperidinone [ACD/IUPAC Name]
5-{2-[3-(4-Acétyl-1-pipérazinyl)-1-azétidinyl]éthyl}-1-benzyl-5-(3,4-dichlorophényl)-2-pipéridinone [French] [ACD/IUPAC Name]
5-{2-[3-(4-Acetyl-1-piperazinyl)-1-azetidinyl]ethyl}-1-benzyl-5-(3,4-dichlorphenyl)-2-piperidinon [German] [ACD/IUPAC Name]
5-{2-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]ethyl}-1-benzyl-5-(3,4-dichlorophenyl)piperidin-2-one
5-{2-[3-(4-Acetyl-piperazin-1-yl)-azetidin-1-yl]-ethyl}-1-benzyl-5-(3,4-dichloro-phenyl)-piperidin-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 716.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.1±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.50
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 3.98
ACD/KOC (pH 7.4): 24.19
Polar Surface Area: 47 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 427.9±3.0 cm3

Click to predict properties on the Chemicalize site


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