ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[(1S)-1-(5-{(1S)-1-(dimethylamino)-2-[(2-methyl-2-propanyl)oxy]ethyl}-1,3,4-oxadiazol-2-yl)-2-{4-[(2-methyl-2-propanyl)oxy]phenyl}ethyl]carbamoyl}-1-piperidinecarboxylate | C33H53N5O6

2-Methyl-2-propanyl 4-{[(1S)-1-(5-{(1S)-1-(dimethylamino)-2-[(2-methyl-2-propanyl)oxy]ethyl}-1,3,4-oxadiazol-2-yl)-2-{4-[(2-methyl-2-propanyl)oxy]phenyl}ethyl]carbamoyl}-1-piperidinecarboxylate

  • Molecular FormulaC33H53N5O6
  • Average mass615.804 Da
  • Monoisotopic mass615.399597 Da
  • ChemSpider ID17226208

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 4-[[[(1S)-1-[5-[(1S)-1-(dimethylamino)-2-(1,1-dimethylethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-2-[4-(1,1-dimethylethoxy)phenyl]ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[(1S)-1-(5-{(1S)-1-(dimethylamino)-2-[(2-methyl-2-propanyl)oxy]ethyl}-1,3,4-oxadiazol-2-yl)-2-{4-[(2-methyl-2-propanyl)oxy]phenyl}ethyl]carbamoyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[(1S)-1-(5-{(1S)-1-(dimethylamino)-2-[(2-methyl-2-propanyl)oxy]ethyl}-1,3,4-oxadiazol-2-yl)-2-{4-[(2-methyl-2-propanyl)oxy]phenyl}ethyl]carbamoyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{[(1S)-1-(5-{(1S)-1-(Diméthylamino)-2-[(2-méthyl-2-propanyl)oxy]éthyl}-1,3,4-oxadiazol-2-yl)-2-{4-[(2-méthyl-2-propanyl)oxy]phényl}éthyl]carbamoyl}-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: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.526
Molar Refractivity: 169.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1074.31
ACD/KOC (pH 5.5): 4206.77
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2151.87
ACD/KOC (pH 7.4): 8426.28
Polar Surface Area: 119 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 552.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement