ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-5-(dimethylamino)-1-oxo-1-(1-piperazinyl)-2-pentanyl]carbamate | C16H32N4O3

2-Methyl-2-propanyl [(2S)-5-(dimethylamino)-1-oxo-1-(1-piperazinyl)-2-pentanyl]carbamate

  • Molecular FormulaC16H32N4O3
  • Average mass328.450 Da
  • Monoisotopic mass328.247437 Da
  • ChemSpider ID30989569

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-5-(Diméthylamino)-1-oxo-1-(1-pipérazinyl)-2-pentanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-5-(dimethylamino)-1-oxo-1-(1-piperazinyl)-2-pentanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-5-(dimethylamino)-1-oxo-1-(1-piperazinyl)-2-pentanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-4-(dimethylamino)-1-(1-piperazinylcarbonyl)butyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
1174064-68-6 [RN]
tert-butyl (S)-4-(dimethylamino)-1-(piperazine-1-carbonyl)butylcarbamate
tert-Butyl [(2S)-5-(dimethylamino)-1-oxo-1-(piperazin-1-yl)pentan-2-yl]carbamate
TERT-BUTYL N-[(2S)-5-(DIMETHYLAMINO)-1-OXO-1-(PIPERAZIN-1-YL)PENTAN-2-YL]CARBAMATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 492.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 251.9±28.7 °C
Index of Refraction: 1.492
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -3.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 309.8±3.0 cm3

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