ChemSpider 2D Image | (3R,5S)-N-[2-(1H-Indol-3-yl)ethyl]-1-isobutyl-5-[(4-methyl-1-piperazinyl)methyl]-3-piperidinecarboxamide | C26H41N5O

(3R,5S)-N-[2-(1H-Indol-3-yl)ethyl]-1-isobutyl-5-[(4-methyl-1-piperazinyl)methyl]-3-piperidinecarboxamide

  • Molecular FormulaC26H41N5O
  • Average mass439.637 Da
  • Monoisotopic mass439.331116 Da
  • ChemSpider ID62702785

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-N-[2-(1H-Indol-3-yl)ethyl]-1-isobutyl-5-[(4-methyl-1-piperazinyl)methyl]-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-N-[2-(1H-Indol-3-yl)ethyl]-1-isobutyl-5-[(4-methyl-1-piperazinyl)methyl]-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,5S)-N-[2-(1H-Indol-3-yl)éthyl]-1-isobutyl-5-[(4-méthyl-1-pipérazinyl)méthyl]-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, N-[2-(1H-indol-3-yl)ethyl]-5-[(4-methyl-1-piperazinyl)methyl]-1-(2-methylpropyl)-, (3R,5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 645.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.1±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.60
Polar Surface Area: 55 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 400.4±3.0 cm3

Click to predict properties on the Chemicalize site


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