ChemSpider 2D Image | 5-[9-(4,4'-Bipiperidin-1-ylcarbonyl)-3-azaspiro[5.5]undec-3-yl]-5-oxopentanoic acid | C26H43N3O4

5-[9-(4,4'-Bipiperidin-1-ylcarbonyl)-3-azaspiro[5.5]undec-3-yl]-5-oxopentanoic acid

  • Molecular FormulaC26H43N3O4
  • Average mass461.637 Da
  • Monoisotopic mass461.325348 Da
  • ChemSpider ID23122066

More details:

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

3-Azaspiro[5.5]undecane-3-pentanoic acid, 9-([4,4'-bipiperidin]-1-ylcarbonyl)-δ-oxo- [ACD/Index Name]
5-[9-(4,4'-Bipiperidin-1-ylcarbonyl)-3-azaspiro[5.5]undec-3-yl]-5-oxopentanoic acid [ACD/IUPAC Name]
5-[9-(4,4'-Bipiperidin-1-ylcarbonyl)-3-azaspiro[5.5]undec-3-yl]-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-[9-(4,4'-bipipéridin-1-ylcarbonyl)-3-azaspiro[5.5]undéc-3-yl]-5-oxopentanoïque [French] [ACD/IUPAC Name]
5-[9-([4,4']Bipiperidinyl-1-carbonyl)-3-aza-spiro[5.5]undec-3-yl]-5-oxo-pentanoic acid
CHEMBL26294

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

Density: 1.2±0.1 g/cm3
Boiling Point: 699.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 111.5±6.0 kJ/mol
Flash Point: 376.7±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.86
Polar Surface Area: 90 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 389.8±5.0 cm3

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