ChemSpider 2D Image | Ethyl 4-({[6-(3-chloro-4-fluorobenzoyl)-6-azaspiro[2.5]oct-1-yl]carbonyl}amino)-1-piperidinecarboxylate | C23H29ClFN3O4

Ethyl 4-({[6-(3-chloro-4-fluorobenzoyl)-6-azaspiro[2.5]oct-1-yl]carbonyl}amino)-1-piperidinecarboxylate

  • Molecular FormulaC23H29ClFN3O4
  • Average mass465.945 Da
  • Monoisotopic mass465.183075 Da
  • ChemSpider ID22161629

More details:

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

1-Piperidinecarboxylic acid, 4-[[[6-(3-chloro-4-fluorobenzoyl)-6-azaspiro[2.5]oct-1-yl]carbonyl]amino]-, ethyl ester [ACD/Index Name]
4-({[6-(3-Chloro-4-fluorobenzoyl)-6-azaspiro[2.5]oct-1-yl]carbonyl}amino)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({[6-(3-chloro-4-fluorobenzoyl)-6-azaspiro[2.5]oct-1-yl]carbonyl}amino)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({[6-(3-chlor-4-fluorbenzoyl)-6-azaspiro[2.5]oct-1-yl]carbonyl}amino)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-[6-(3-CHLORO-4-FLUOROBENZOYL)-6-AZASPIRO[2.5]OCTANE-1-AMIDO]PIPERIDINE-1-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.4±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 117.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.81
ACD/KOC (pH 5.5): 395.37
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.81
ACD/KOC (pH 7.4): 395.37
Polar Surface Area: 79 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 345.4±5.0 cm3

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