ChemSpider 2D Image | 1-[2-(3-Fluorophenyl)ethyl]-5-{[4-(2-pyrazinyl)-1-piperazinyl]carbonyl}-2-piperidinone | C22H26FN5O2

1-[2-(3-Fluorophenyl)ethyl]-5-{[4-(2-pyrazinyl)-1-piperazinyl]carbonyl}-2-piperidinone

  • Molecular FormulaC22H26FN5O2
  • Average mass411.473 Da
  • Monoisotopic mass411.207062 Da
  • ChemSpider ID22189829

More details:

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

1-[2-(3-Fluorophenyl)ethyl]-5-{[4-(2-pyrazinyl)-1-piperazinyl]carbonyl}-2-piperidinone [ACD/IUPAC Name]
1-[2-(3-Fluorophényl)éthyl]-5-{[4-(2-pyrazinyl)-1-pipérazinyl]carbonyl}-2-pipéridinone [French] [ACD/IUPAC Name]
1-[2-(3-Fluorphenyl)ethyl]-5-{[4-(2-pyrazinyl)-1-piperazinyl]carbonyl}-2-piperidinon [German] [ACD/IUPAC Name]
2-Piperidinone, 1-[2-(3-fluorophenyl)ethyl]-5-[[4-(2-pyrazinyl)-1-piperazinyl]carbonyl]- [ACD/Index Name]
1-[2-(3-FLUOROPHENYL)ETHYL]-5-[4-(PYRAZIN-2-YL)PIPERAZINE-1-CARBONYL]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: 655.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.3±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 109.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.76
ACD/KOC (pH 5.5): 221.98
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.93
ACD/KOC (pH 7.4): 240.93
Polar Surface Area: 70 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 323.0±3.0 cm3

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