ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[(3R,4R)-3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-piperidinyl]carbonyl}-1-piperidinecarboxylate | C21H32N4O6

2-Methyl-2-propanyl 4-{[(3R,4R)-3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-piperidinyl]carbonyl}-1-piperidinecarboxylate

  • Molecular FormulaC21H32N4O6
  • Average mass436.502 Da
  • Monoisotopic mass436.232178 Da
  • ChemSpider ID114752902

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 4-[[(3R,4R)-3-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[(3R,4R)-3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-piperidinyl]carbonyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[(3R,4R)-3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-piperidinyl]carbonyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[(3R,4R)-3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-4-méthyl-1-pipéridinyl]carbonyl}-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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.564
Molar Refractivity: 110.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.50
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.04
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.84
Polar Surface Area: 119 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 338.4±3.0 cm3

Click to predict properties on the Chemicalize site


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