ChemSpider 2D Image | methyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate | C22H29N3O3S

methyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

  • Molecular FormulaC22H29N3O3S
  • Average mass415.549 Da
  • Monoisotopic mass415.192963 Da
  • ChemSpider ID23237957

More details:






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

1-[2-(4-Méthyl-1,3-thiazol-5-yl)éthyl]-4-[phényl(propionyl)amino]-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-(4-methyl-5-thiazolyl)ethyl]-4-[(1-oxopropyl)phenylamino]-, methyl ester [ACD/Index Name]
methyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate
Methyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-[phenyl(propionyl)amino]-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-[phenyl(propionyl)amino]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1-[2-(4-Methyl-thiazol-5-yl)-ethyl]-4-(phenyl-propionyl-amino)-piperidine-4-carboxylic acid methyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 535.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.4±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 115.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 5.14
ACD/KOC (pH 5.5): 50.11
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 73.04
ACD/KOC (pH 7.4): 712.12
Polar Surface Area: 91 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 344.4±3.0 cm3

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