ChemSpider 2D Image | 2-Methyl-2-propanyl 3-[(2-{[1-(2-furoyl)-4-piperidinyl]amino}-2-oxoethoxy)methyl]-1-piperidinecarboxylate | C23H35N3O6

2-Methyl-2-propanyl 3-[(2-{[1-(2-furoyl)-4-piperidinyl]amino}-2-oxoethoxy)methyl]-1-piperidinecarboxylate

  • Molecular FormulaC23H35N3O6
  • Average mass449.540 Da
  • Monoisotopic mass449.252594 Da
  • ChemSpider ID30411005

More details:

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

1-Piperidinecarboxylic acid, 3-[[2-[[1-(2-furanylcarbonyl)-4-piperidinyl]amino]-2-oxoethoxy]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(2-{[1-(2-furoyl)-4-piperidinyl]amino}-2-oxoethoxy)methyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(2-{[1-(2-furoyl)-4-piperidinyl]amino}-2-oxoethoxy)methyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-[(2-{[1-(2-Furoyl)-4-pipéridinyl]amino}-2-oxoéthoxy)méthyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-[({[1-(FURAN-2-CARBONYL)PIPERIDIN-4-YL]CARBAMOYL}METHOXY)METHYL]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: 624.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.7±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.28
ACD/KOC (pH 5.5): 267.61
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.28
ACD/KOC (pH 7.4): 267.61
Polar Surface Area: 101 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 369.7±5.0 cm3

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