ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[1-(2,6-dimethylphenyl)-4-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}-1H-pyrazol-5-yl]-1-piperidinecarboxylate | C33H43N5O4

2-Methyl-2-propanyl 4-[1-(2,6-dimethylphenyl)-4-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}-1H-pyrazol-5-yl]-1-piperidinecarboxylate

  • Molecular FormulaC33H43N5O4
  • Average mass573.726 Da
  • Monoisotopic mass573.331482 Da
  • ChemSpider ID22480359

More details:

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

1-Piperidinecarboxylic acid, 4-[1-(2,6-dimethylphenyl)-4-[[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[1-(2,6-dimethylphenyl)-4-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}-1H-pyrazol-5-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[1-(2,6-dimethylphenyl)-4-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}-1H-pyrazol-5-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[1-(2,6-Diméthylphényl)-4-{[4-(4-méthoxyphényl)-1-pipérazinyl]carbonyl}-1H-pyrazol-5-yl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [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: 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: 1.609
Molar Refractivity: 164.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1563.58
ACD/KOC (pH 5.5): 6715.08
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1574.86
ACD/KOC (pH 7.4): 6763.53
Polar Surface Area: 80 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 475.9±7.0 cm3

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