ChemSpider 2D Image | Ethyl 4-(1-{[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]carbamoyl}-6-azaspiro[2.5]oct-6-yl)-1-piperidinecarboxylate | C28H41N3O4

Ethyl 4-(1-{[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]carbamoyl}-6-azaspiro[2.5]oct-6-yl)-1-piperidinecarboxylate

  • Molecular FormulaC28H41N3O4
  • Average mass483.643 Da
  • Monoisotopic mass483.309692 Da
  • ChemSpider ID22141601

More details:

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

1-Piperidinecarboxylic acid, 4-[1-[[[(tetrahydro-4-phenyl-2H-pyran-4-yl)methyl]amino]carbonyl]-6-azaspiro[2.5]oct-6-yl]-, ethyl ester [ACD/Index Name]
4-(1-{[(4-Phényltétrahydro-2H-pyran-4-yl)méthyl]carbamoyl}-6-azaspiro[2.5]oct-6-yl)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(1-{[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]carbamoyl}-6-azaspiro[2.5]oct-6-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(1-{[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]carbamoyl}-6-azaspiro[2.5]oct-6-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-(1-{[(4-PHENYLOXAN-4-YL)METHYL]CARBAMOYL}-6-AZASPIRO[2.5]OCTAN-6-YL)PIPERIDINE-1-CARBOXYLATE
ethyl 4-[1-({[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]amino}carbonyl)-6-azaspiro[2.5]oct-6-yl]-1-piperidinecarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 660.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 353.0±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 15.04
Polar Surface Area: 71 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 401.5±5.0 cm3

Click to predict properties on the Chemicalize site


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