ChemSpider 2D Image | N-(1-Amino-3-hydroxy-1-oxo-2-butanyl)-6-(4-{3-[1-(4-oxo-4-phenylbutanoyl)-4-piperidinyl]propyl}-1-piperidinyl)nicotinamide | C33H45N5O5

N-(1-Amino-3-hydroxy-1-oxo-2-butanyl)-6-(4-{3-[1-(4-oxo-4-phenylbutanoyl)-4-piperidinyl]propyl}-1-piperidinyl)nicotinamide

  • Molecular FormulaC33H45N5O5
  • Average mass591.741 Da
  • Monoisotopic mass591.342041 Da
  • ChemSpider ID30820827

More details:

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

3-Pyridinecarboxamide, N-[1-(aminocarbonyl)-2-hydroxypropyl]-6-[4-[3-[1-(1,4-dioxo-4-phenylbutyl)-4-piperidinyl]propyl]-1-piperidinyl]- [ACD/Index Name]
N-(1-Amino-3-hydroxy-1-oxo-2-butanyl)-6-(4-{3-[1-(4-oxo-4-phenylbutanoyl)-4-piperidinyl]propyl}-1-piperidinyl)nicotinamid [German] [ACD/IUPAC Name]
N-(1-Amino-3-hydroxy-1-oxo-2-butanyl)-6-(4-{3-[1-(4-oxo-4-phenylbutanoyl)-4-piperidinyl]propyl}-1-piperidinyl)nicotinamide [ACD/IUPAC Name]
N-(1-Amino-3-hydroxy-1-oxo-2-butanyl)-6-(4-{3-[1-(4-oxo-4-phénylbutanoyl)-4-pipéridinyl]propyl}-1-pipéridinyl)nicotinamide [French] [ACD/IUPAC 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: 877.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.6±3.0 kJ/mol
Flash Point: 484.6±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 163.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 7.11
ACD/KOC (pH 5.5): 61.35
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 109.02
ACD/KOC (pH 7.4): 940.72
Polar Surface Area: 146 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 495.1±3.0 cm3

Click to predict properties on the Chemicalize site


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