ChemSpider 2D Image | (1S,2S,5R)-N-Hydroxy-2-{[4-(3-isopropylphenyl)-1-piperidinyl]carbonyl}-5-[2-oxo-2-(1-piperidinyl)ethyl]cyclohexanecarboxamide | C29H43N3O4

(1S,2S,5R)-N-Hydroxy-2-{[4-(3-isopropylphenyl)-1-piperidinyl]carbonyl}-5-[2-oxo-2-(1-piperidinyl)ethyl]cyclohexanecarboxamide

  • Molecular FormulaC29H43N3O4
  • Average mass497.669 Da
  • Monoisotopic mass497.325348 Da
  • ChemSpider ID24707962

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,5R)-N-Hydroxy-2-{[4-(3-isopropylphenyl)-1-piperidinyl]carbonyl}-5-[2-oxo-2-(1-piperidinyl)ethyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
(1S,2S,5R)-N-Hydroxy-2-{[4-(3-isopropylphenyl)-1-piperidinyl]carbonyl}-5-[2-oxo-2-(1-piperidinyl)ethyl]cyclohexanecarboxamide [ACD/IUPAC Name]
(1S,2S,5R)-N-Hydroxy-2-{[4-(3-isopropylphényl)-1-pipéridinyl]carbonyl}-5-[2-oxo-2-(1-pipéridinyl)éthyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, N-hydroxy-2-[[4-[3-(1-methylethyl)phenyl]-1-piperidinyl]carbonyl]-5-[2-oxo-2-(1-piperidinyl)ethyl]-, (1S,2S,5R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL497645/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 139.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 338.84
ACD/KOC (pH 5.5): 2251.96
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 336.02
ACD/KOC (pH 7.4): 2233.19
Polar Surface Area: 90 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 431.4±3.0 cm3

Click to predict properties on the Chemicalize site


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