ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(1R)-1-(3-{[(4-methoxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]carbamoyl}-2-methyl-1H-indol-1-yl)ethyl]-1-piperidinecarboxylate | C30H40N4O5

2-Methyl-2-propanyl 4-[(1R)-1-(3-{[(4-methoxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]carbamoyl}-2-methyl-1H-indol-1-yl)ethyl]-1-piperidinecarboxylate

  • Molecular FormulaC30H40N4O5
  • Average mass536.662 Da
  • Monoisotopic mass536.299866 Da
  • ChemSpider ID58791737

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 4-[(1R)-1-[3-[[[(1,2-dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]amino]carbonyl]-2-methyl-1H-indol-1-yl]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(1R)-1-(3-{[(4-methoxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]carbamoyl}-2-methyl-1H-indol-1-yl)ethyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(1R)-1-(3-{[(4-methoxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]carbamoyl}-2-methyl-1H-indol-1-yl)ethyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[(1R)-1-(3-{[(4-Méthoxy-6-méthyl-2-oxo-1,2-dihydro-3-pyridinyl)méthyl]carbamoyl}-2-méthyl-1H-indol-1-yl)éthyl]-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: 754.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 410.0±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 217.49
ACD/KOC (pH 5.5): 1639.61
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 217.43
ACD/KOC (pH 7.4): 1639.18
Polar Surface Area: 102 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 435.8±7.0 cm3

Click to predict properties on the Chemicalize site


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