ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(4-{[(2E)-3-(4-nitrophenyl)-2-propenoyl]amino}-1-piperidinyl)carbonyl]-1-piperazinecarboxylate | C24H33N5O6

2-Methyl-2-propanyl 4-[(4-{[(2E)-3-(4-nitrophenyl)-2-propenoyl]amino}-1-piperidinyl)carbonyl]-1-piperazinecarboxylate

  • Molecular FormulaC24H33N5O6
  • Average mass487.549 Da
  • Monoisotopic mass487.243073 Da
  • ChemSpider ID59297310

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinecarboxylic acid, 4-[[4-[[(2E)-3-(4-nitrophenyl)-1-oxo-2-propen-1-yl]amino]-1-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(4-{[(2E)-3-(4-nitrophenyl)-2-propenoyl]amino}-1-piperidinyl)carbonyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(4-{[(2E)-3-(4-nitrophenyl)-2-propenoyl]amino}-1-piperidinyl)carbonyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[(4-{[(2E)-3-(4-Nitrophényl)-2-propenoyl]amino}-1-pipéridinyl)carbonyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 668.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.2±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.62
ACD/KOC (pH 5.5): 585.39
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.72
ACD/KOC (pH 7.4): 586.46
Polar Surface Area: 128 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 375.0±5.0 cm3

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