ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[1-(4-methoxyphenyl)-4-{[3-(1-piperidinyl)propyl]carbamoyl}-1H-pyrazol-5-yl]-1-piperidinecarboxylate | C29H43N5O4

2-Methyl-2-propanyl 4-[1-(4-methoxyphenyl)-4-{[3-(1-piperidinyl)propyl]carbamoyl}-1H-pyrazol-5-yl]-1-piperidinecarboxylate

  • Molecular FormulaC29H43N5O4
  • Average mass525.683 Da
  • Monoisotopic mass525.331482 Da
  • ChemSpider ID13152843

More details:

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

1-Piperidinecarboxylic acid, 4-[1-(4-methoxyphenyl)-4-[[[3-(1-piperidinyl)propyl]amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[1-(4-methoxyphenyl)-4-{[3-(1-piperidinyl)propyl]carbamoyl}-1H-pyrazol-5-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[1-(4-methoxyphenyl)-4-{[3-(1-piperidinyl)propyl]carbamoyl}-1H-pyrazol-5-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[1-(4-Méthoxyphényl)-4-{[3-(1-pipéridinyl)propyl]carbamoyl}-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: 680.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.0±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 148.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.80
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 5.31
ACD/KOC (pH 7.4): 31.20
Polar Surface Area: 89 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 435.9±7.0 cm3

Click to predict properties on the Chemicalize site


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