ChemSpider 2D Image | Ethyl 1-{[8-(2,2-dimethylpropanoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl]carbonyl}-4-piperidinecarboxylate | C28H38FN3O6

Ethyl 1-{[8-(2,2-dimethylpropanoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl]carbonyl}-4-piperidinecarboxylate

  • Molecular FormulaC28H38FN3O6
  • Average mass531.616 Da
  • Monoisotopic mass531.274475 Da
  • ChemSpider ID21555144

More details:

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

1-{[8-(2,2-Diméthylpropanoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]déc-3-yl]carbonyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[8-(2,2-dimethyl-1-oxopropyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[8-(2,2-dimethylpropanoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl]carbonyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[8-(2,2-dimethylpropanoyl)-4-(4-fluorbenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl]carbonyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.7±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.79
ACD/KOC (pH 5.5): 595.15
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.79
ACD/KOC (pH 7.4): 595.15
Polar Surface Area: 96 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 417.1±5.0 cm3

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