ChemSpider 2D Image | Ethyl 4-{[N-(3,5-dimethoxybenzoyl)-L-valyl]amino}-1-piperidinecarboxylate | C22H33N3O6

Ethyl 4-{[N-(3,5-dimethoxybenzoyl)-L-valyl]amino}-1-piperidinecarboxylate

  • Molecular FormulaC22H33N3O6
  • Average mass435.514 Da
  • Monoisotopic mass435.236938 Da
  • ChemSpider ID30700222

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 4-[[(2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-1-oxobutyl]amino]-, ethyl ester [ACD/Index Name]
4-{[N-(3,5-Diméthoxybenzoyl)-L-valyl]amino}-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[N-(3,5-dimethoxybenzoyl)-L-valyl]amino}-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[N-(3,5-dimethoxybenzoyl)-L-valyl]amino}-1-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 618.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 327.8±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.21
ACD/KOC (pH 5.5): 196.32
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.21
ACD/KOC (pH 7.4): 196.32
Polar Surface Area: 106 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 364.1±5.0 cm3

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