ChemSpider 2D Image | (3R,5S)-N-Cyclopropyl-N'-[(2R)-1-hydroxy-4-methyl-2-pentanyl]-N-{[1-(3-methoxypropyl)-1H-indol-3-yl]methyl}-3,5-piperidinedicarboxamide | C29H44N4O4

(3R,5S)-N-Cyclopropyl-N'-[(2R)-1-hydroxy-4-methyl-2-pentanyl]-N-{[1-(3-methoxypropyl)-1H-indol-3-yl]methyl}-3,5-piperidinedicarboxamide

  • Molecular FormulaC29H44N4O4
  • Average mass512.684 Da
  • Monoisotopic mass512.336243 Da
  • ChemSpider ID58109963

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,5S)-N-Cyclopropyl-N'-[(2R)-1-hydroxy-4-methyl-2-pentanyl]-N-{[1-(3-methoxypropyl)-1H-indol-3-yl]methyl}-3,5-piperidindicarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-N-Cyclopropyl-N'-[(2R)-1-hydroxy-4-methyl-2-pentanyl]-N-{[1-(3-methoxypropyl)-1H-indol-3-yl]methyl}-3,5-piperidinedicarboxamide [ACD/IUPAC Name]
(3R,5S)-N-Cyclopropyl-N'-[(2R)-1-hydroxy-4-méthyl-2-pentanyl]-N-{[1-(3-méthoxypropyl)-1H-indol-3-yl]méthyl}-3,5-pipéridinedicarboxamide [French] [ACD/IUPAC Name]
3,5-Piperidinedicarboxamide, N3-cyclopropyl-N5-[(1R)-1-(hydroxymethyl)-3-methylbutyl]-N3-[[1-(3-methoxypropyl)-1H-indol-3-yl]methyl]-, (3R,5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.7±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 143.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 5.92
ACD/KOC (pH 7.4): 66.81
Polar Surface Area: 96 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 411.5±7.0 cm3

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