ChemSpider 2D Image | (3S,4R,5R)-N-Cyclopropyl-N'-[(2R)-1-ethoxy-4-methyl-2-pentanyl]-4-hydroxy-N-(5-isopropyl-2-pyridinyl)-3,5-piperidinedicarboxamide | C26H42N4O4

(3S,4R,5R)-N-Cyclopropyl-N'-[(2R)-1-ethoxy-4-methyl-2-pentanyl]-4-hydroxy-N-(5-isopropyl-2-pyridinyl)-3,5-piperidinedicarboxamide

  • Molecular FormulaC26H42N4O4
  • Average mass474.636 Da
  • Monoisotopic mass474.320618 Da
  • ChemSpider ID34951042

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,4R,5R)-N-Cyclopropyl-N'-[(2R)-1-ethoxy-4-methyl-2-pentanyl]-4-hydroxy-N-(5-isopropyl-2-pyridinyl)-3,5-piperidindicarboxamid [German] [ACD/IUPAC Name]
(3S,4R,5R)-N-Cyclopropyl-N'-[(2R)-1-ethoxy-4-methyl-2-pentanyl]-4-hydroxy-N-(5-isopropyl-2-pyridinyl)-3,5-piperidinedicarboxamide [ACD/IUPAC Name]
(3S,4R,5R)-N-Cyclopropyl-N'-[(2R)-1-éthoxy-4-méthyl-2-pentanyl]-4-hydroxy-N-(5-isopropyl-2-pyridinyl)-3,5-pipéridinedicarboxamide [French] [ACD/IUPAC Name]
(3s,4r,5r)-N-Cyclopropyl-N'-[(2r)-1-Ethoxy-4-Methylpentan-2-Yl]-4-Hydroxy-N-[5-(Propan-2-Yl)pyridin-2-Yl]piperidine-3,5-Dicarboxamide
3,5-Piperidinedicarboxamide, N3-cyclopropyl-N5-[(1R)-1-(ethoxymethyl)-3-methylbutyl]-4-hydroxy-N3-[5-(1-methylethyl)-2-pyridinyl]-, (3S,4R,5R)- [ACD/Index Name]
2Y9
US8497286, 154

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.6±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.72
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 11.25
ACD/KOC (pH 7.4): 166.04
Polar Surface Area: 104 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 411.9±3.0 cm3

Click to predict properties on the Chemicalize site


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