ChemSpider 2D Image | 2-Methyl-2-propanyl (3R,4S)-4-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-{[5-(2-pyridinyl)-1,2-oxazol-3-yl]methyl}-1-piperidinecarboxylate | C32H41N5O5

2-Methyl-2-propanyl (3R,4S)-4-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-{[5-(2-pyridinyl)-1,2-oxazol-3-yl]methyl}-1-piperidinecarboxylate

  • Molecular FormulaC32H41N5O5
  • Average mass575.698 Da
  • Monoisotopic mass575.310791 Da
  • ChemSpider ID22806164

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-4-{2-[4-(2-Méthoxyphényl)-1-pipérazinyl]-2-oxoéthyl}-3-{[5-(2-pyridinyl)-1,2-oxazol-3-yl]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 4-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-3-[[5-(2-pyridinyl)-3-isoxazolyl]methyl]-, 1,1-dimethylethyl ester, (3R,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (3R,4S)-4-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-{[5-(2-pyridinyl)-1,2-oxazol-3-yl]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R,4S)-4-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-{[5-(2-pyridinyl)-1,2-oxazol-3-yl]methyl}-1-piperidincarboxylat [German] [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: 746.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.2±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 967.41
ACD/KOC (pH 5.5): 4768.34
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 969.98
ACD/KOC (pH 7.4): 4781.02
Polar Surface Area: 101 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 481.6±3.0 cm3

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