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

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

  • Molecular FormulaC28H38FN3O6
  • Average mass531.616 Da
  • Monoisotopic mass531.274475 Da
  • ChemSpider ID21555078

More details:

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

1-{[4-(4-Fluorobenzoyl)-8-(3-méthylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]déc-3-yl]carbonyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[4-(4-fluorobenzoyl)-8-(3-methyl-1-oxobutyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[4-(4-fluorobenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl]carbonyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[4-(4-fluorbenzoyl)-8-(3-methylbutanoyl)-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: 718.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.2±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.04
ACD/KOC (pH 5.5): 668.07
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.04
ACD/KOC (pH 7.4): 668.08
Polar Surface Area: 96 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 417.3±5.0 cm3

Click to predict properties on the Chemicalize site


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