ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxylate | C21H29N3O6

2-Methyl-2-propanyl 4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxylate

  • Molecular FormulaC21H29N3O6
  • Average mass419.471 Da
  • Monoisotopic mass419.205627 Da
  • ChemSpider ID26457206

More details:

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

1-Piperidinecarboxylic acid, 4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[3-(3,4,5-Triméthoxyphényl)-1,2,4-oxadiazol-5-yl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1312793-88-6 [RN]
4-[3-(3,4,5-Trimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidine-1-carboxylic acid tert-butyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1798015/
tert-butyl 4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 546.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.1±32.9 °C
Index of Refraction: 1.525
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 254.24
ACD/KOC (pH 5.5): 1833.49
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 254.24
ACD/KOC (pH 7.4): 1833.50
Polar Surface Area: 96 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 355.4±3.0 cm3

Click to predict properties on the Chemicalize site


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