ChemSpider 2D Image | N-{[1-(4-Fluorobenzyl)-4-piperidinyl]methyl}-4-oxo-1-(4-pyridinylmethyl)-1,5-diazacycloundecane-8-carboxamide | C29H40FN5O2

N-{[1-(4-Fluorobenzyl)-4-piperidinyl]methyl}-4-oxo-1-(4-pyridinylmethyl)-1,5-diazacycloundecane-8-carboxamide

  • Molecular FormulaC29H40FN5O2
  • Average mass509.659 Da
  • Monoisotopic mass509.316589 Da
  • ChemSpider ID53590633

More details:

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

1,5-Diazacycloundecane-8-carboxamide, N-[[1-[(4-fluorophenyl)methyl]-4-piperidinyl]methyl]-4-oxo-1-(4-pyridinylmethyl)- [ACD/Index Name]
N-{[1-(4-Fluorbenzyl)-4-piperidinyl]methyl}-4-oxo-1-(4-pyridinylmethyl)-1,5-diazacycloundecan-8-carboxamid [German] [ACD/IUPAC Name]
N-{[1-(4-Fluorobenzyl)-4-piperidinyl]methyl}-4-oxo-1-(4-pyridinylmethyl)-1,5-diazacycloundecane-8-carboxamide [ACD/IUPAC Name]
N-{[1-(4-Fluorobenzyl)-4-pipéridinyl]méthyl}-4-oxo-1-(4-pyridinylméthyl)-1,5-diazacycloundécane-8-carboxamide [French] [ACD/IUPAC 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: 726.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.3±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 20.11
Polar Surface Area: 78 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 446.4±3.0 cm3

Click to predict properties on the Chemicalize site


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