ChemSpider 2D Image | N-{1-[(5-Methyl-1H-indol-3-yl)methyl]-4-piperidinyl}-L-tryptophanamide | C26H31N5O

N-{1-[(5-Methyl-1H-indol-3-yl)methyl]-4-piperidinyl}-L-tryptophanamide

  • Molecular FormulaC26H31N5O
  • Average mass429.557 Da
  • Monoisotopic mass429.252869 Da
  • ChemSpider ID35034897
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Indole-3-propanamide, α-amino-N-[1-[(5-methyl-1H-indol-3-yl)methyl]-4-piperidinyl]-, (αS)- [ACD/Index Name]
N-{1-[(5-Methyl-1H-indol-3-yl)methyl]-4-piperidinyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
N-{1-[(5-Methyl-1H-indol-3-yl)methyl]-4-piperidinyl}-L-tryptophanamide [ACD/IUPAC Name]
N-{1-[(5-Méthyl-1H-indol-3-yl)méthyl]-4-pipéridinyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
N-{1-[(5-Methyl-1h-Indol-3-Yl)methyl]piperidin-4-Yl}-L-Tryptophanamide
2PX

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 734.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.2±32.9 °C
Index of Refraction: 1.702
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.68
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 3.52
ACD/KOC (pH 7.4): 33.88
Polar Surface Area: 90 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 335.5±5.0 cm3

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