ChemSpider 2D Image | 2-Methyl-2-propanyl 4-({3-[(butyrylamino)methyl]-1-piperidinyl}carbonyl)-1-piperidinecarboxylate | C21H37N3O4

2-Methyl-2-propanyl 4-({3-[(butyrylamino)methyl]-1-piperidinyl}carbonyl)-1-piperidinecarboxylate

  • Molecular FormulaC21H37N3O4
  • Average mass395.536 Da
  • Monoisotopic mass395.278412 Da
  • ChemSpider ID30190967

More details:

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

1-Piperidinecarboxylic acid, 4-[[3-[[(1-oxobutyl)amino]methyl]-1-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-({3-[(butyrylamino)methyl]-1-piperidinyl}carbonyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-({3-[(butyrylamino)methyl]-1-piperidinyl}carbonyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-({3-[(Butyrylamino)méthyl]-1-pipéridinyl}carbonyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 4-[3-(BUTANAMIDOMETHYL)PIPERIDINE-1-CARBONYL]PIPERIDINE-1-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 585.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.0±25.9 °C
Index of Refraction: 1.505
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.56
ACD/KOC (pH 5.5): 560.57
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.56
ACD/KOC (pH 7.4): 560.57
Polar Surface Area: 79 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 362.5±3.0 cm3

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