ChemSpider 2D Image | 5-{[4-(3-Fluorobenzyl)-1-piperazinyl]carbonyl}-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-piperidinone | C24H33FN4O3

5-{[4-(3-Fluorobenzyl)-1-piperazinyl]carbonyl}-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-piperidinone

  • Molecular FormulaC24H33FN4O3
  • Average mass444.542 Da
  • Monoisotopic mass444.253662 Da
  • ChemSpider ID22205901

More details:

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

2-Piperidinone, 5-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]carbonyl]-1-[3-(2-oxo-1-pyrrolidinyl)propyl]- [ACD/Index Name]
5-{[4-(3-Fluorbenzyl)-1-piperazinyl]carbonyl}-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-piperidinon [German] [ACD/IUPAC Name]
5-{[4-(3-Fluorobenzyl)-1-piperazinyl]carbonyl}-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-piperidinone [ACD/IUPAC Name]
5-{[4-(3-Fluorobenzyl)-1-pipérazinyl]carbonyl}-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-pipéridinone [French] [ACD/IUPAC Name]
5-{4-[(3-FLUOROPHENYL)METHYL]PIPERAZINE-1-CARBONYL}-1-[3-(2-OXOPYRROLIDIN-1-YL)PROPYL]PIPERIDIN-2-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 675.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.3±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 118.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 35.25
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.14
ACD/KOC (pH 7.4): 59.94
Polar Surface Area: 64 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 358.8±3.0 cm3

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