ChemSpider 2D Image | 1-(4-Benzyl-1-piperazinyl)-3-{1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-piperidinyl}-1-propanone | C25H38N4O3

1-(4-Benzyl-1-piperazinyl)-3-{1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-piperidinyl}-1-propanone

  • Molecular FormulaC25H38N4O3
  • Average mass442.594 Da
  • Monoisotopic mass442.294403 Da
  • ChemSpider ID22180507

More details:

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

1-(4-Benzyl-1-piperazinyl)-3-{1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-piperidinyl}-1-propanon [German] [ACD/IUPAC Name]
1-(4-Benzyl-1-piperazinyl)-3-{1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-piperidinyl}-1-propanone [ACD/IUPAC Name]
1-(4-Benzyl-1-pipérazinyl)-3-{1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-pipéridinyl}-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 3-(2-isoxazolidinyl)-1-[3-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1-piperidinyl]- [ACD/Index Name]
1-benzyl-4-(3-{1-[3-(2-isoxazolidinyl)propanoyl]-3-piperidinyl}propanoyl)piperazine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 625.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.1±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 124.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 2.99
ACD/KOC (pH 5.5): 53.61
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.07
ACD/KOC (pH 7.4): 180.26
Polar Surface Area: 56 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 382.8±3.0 cm3

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