ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}-1-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate | C29H43N5O4

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

  • Molecular FormulaC29H43N5O4
  • Average mass525.683 Da
  • Monoisotopic mass525.331482 Da
  • ChemSpider ID13152429

More details:

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

1-Piperidinecarboxylic acid, 4-[1-(1,1-dimethylethyl)-4-[[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}-1-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}-1-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[4-{[4-(2-Méthoxyphényl)-1-pipérazinyl]carbonyl}-1-(2-méthyl-2-propanyl)-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: 663.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.8±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 149.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 256.49
ACD/KOC (pH 5.5): 1844.90
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 256.58
ACD/KOC (pH 7.4): 1845.56
Polar Surface Area: 80 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 444.8±7.0 cm3

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