ChemSpider 2D Image | 4-[({4-[4-(Aminomethyl)-1-piperidinyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-[4-(ethoxycarbonyl)-1-piperazinyl]-5-oxopentanoic acid | C30H40N6O6

4-[({4-[4-(Aminomethyl)-1-piperidinyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-[4-(ethoxycarbonyl)-1-piperazinyl]-5-oxopentanoic acid

  • Molecular FormulaC30H40N6O6
  • Average mass580.675 Da
  • Monoisotopic mass580.300903 Da
  • ChemSpider ID24617002

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinepentanoic acid, γ-[[[4-[4-(aminomethyl)-1-piperidinyl]-6-phenyl-2-pyridinyl]carbonyl]amino]-4-(ethoxycarbonyl)-δ-oxo- [ACD/Index Name]
4-[({4-[4-(Aminomethyl)-1-piperidinyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-[4-(ethoxycarbonyl)-1-piperazinyl]-5-oxopentanoic acid [ACD/IUPAC Name]
4-[({4-[4-(Aminomethyl)-1-piperidinyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-[4-(ethoxycarbonyl)-1-piperazinyl]-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 4-[({4-[4-(aminométhyl)-1-pipéridinyl]-6-phényl-2-pyridinyl}carbonyl)amino]-5-[4-(éthoxycarbonyl)-1-pipérazinyl]-5-oxopentanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 840.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 462.1±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 154.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -2.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 458.7±3.0 cm3

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