ChemSpider 2D Image | N-[(2S)-2-[(1,4'-Bipiperidin-1'-ylacetyl)amino]-3-(1H-indol-3-yl)propyl]-N-(2-methoxybenzyl)acetamide | C33H45N5O3

N-[(2S)-2-[(1,4'-Bipiperidin-1'-ylacetyl)amino]-3-(1H-indol-3-yl)propyl]-N-(2-methoxybenzyl)acetamide

  • Molecular FormulaC33H45N5O3
  • Average mass559.742 Da
  • Monoisotopic mass559.352234 Da
  • ChemSpider ID8500927

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1,4'-Bipiperidine]-1'-acetamide, N-[(1S)-2-[acetyl[(2-methoxyphenyl)methyl]amino]-1-(1H-indol-3-ylmethyl)ethyl]- [ACD/Index Name]
N-[(2S)-2-[(1,4'-Bipiperidin-1'-ylacetyl)amino]-3-(1H-indol-3-yl)propyl]-N-(2-methoxybenzyl)acetamid [German] [ACD/IUPAC Name]
N-[(2S)-2-[(1,4'-Bipiperidin-1'-ylacetyl)amino]-3-(1H-indol-3-yl)propyl]-N-(2-methoxybenzyl)acetamide [ACD/IUPAC Name]
N-[(2S)-2-{[2-(1,4'-Bipipéridin-1'-yl)acétyl]amino}-3-(1H-indol-3-yl)propyl]-N-(2-méthoxybenzyl)acétamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL351236/
N-[(S)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-[1,4']bipiperidinyl-1'-yl-acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 790.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 431.8±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 163.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.49
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 7.18
ACD/KOC (pH 7.4): 41.11
Polar Surface Area: 81 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 473.8±3.0 cm3

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