ChemSpider 2D Image | {6-[4-(2-Methyl-2-propanyl)benzoyl]-6-azaspiro[2.5]oct-1-yl}[4-(2-pyridinyl)-1-piperazinyl]methanone | C28H36N4O2

{6-[4-(2-Methyl-2-propanyl)benzoyl]-6-azaspiro[2.5]oct-1-yl}[4-(2-pyridinyl)-1-piperazinyl]methanone

  • Molecular FormulaC28H36N4O2
  • Average mass460.611 Da
  • Monoisotopic mass460.283813 Da
  • ChemSpider ID22224761

More details:

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

{6-[4-(2-Methyl-2-propanyl)benzoyl]-6-azaspiro[2.5]oct-1-yl}[4-(2-pyridinyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
{6-[4-(2-Methyl-2-propanyl)benzoyl]-6-azaspiro[2.5]oct-1-yl}[4-(2-pyridinyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
{6-[4-(2-Méthyl-2-propanyl)benzoyl]-6-azaspiro[2.5]oct-1-yl}[4-(2-pyridinyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [6-[4-(1,1-dimethylethyl)benzoyl]-6-azaspiro[2.5]oct-1-yl][4-(2-pyridinyl)-1-piperazinyl]- [ACD/Index Name]
6-(4-TERT-BUTYLBENZOYL)-1-[4-(PYRIDIN-2-YL)PIPERAZINE-1-CARBONYL]-6-AZASPIRO[2.5]OCTANE
6-(4-tert-butylbenzoyl)-1-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-6-azaspiro[2.5]octane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 671.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 359.9±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.32
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 9.24
ACD/KOC (pH 7.4): 84.22
Polar Surface Area: 57 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 376.9±5.0 cm3

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