ChemSpider 2D Image | N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide | C22H30BrN3O4

N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide

  • Molecular FormulaC22H30BrN3O4
  • Average mass480.395 Da
  • Monoisotopic mass479.141968 Da
  • ChemSpider ID23315452

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Morpholinebutanamide, N-[4-bromo-2-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]carbonyl]phenyl]-γ-oxo- [ACD/Index Name]
N-(4-Brom-2-{[(3R,5S)-3,5-dimethyl-1-piperidinyl]carbonyl}phenyl)-4-(4-morpholinyl)-4-oxobutanamid [German] [ACD/IUPAC Name]
N-(4-Bromo-2-{[(3R,5S)-3,5-dimethyl-1-piperidinyl]carbonyl}phenyl)-4-(4-morpholinyl)-4-oxobutanamide [ACD/IUPAC Name]
N-(4-Bromo-2-{[(3R,5S)-3,5-diméthyl-1-pipéridinyl]carbonyl}phényl)-4-(4-morpholinyl)-4-oxobutanamide [French] [ACD/IUPAC Name]
N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-(morpholin-4-yl)-4-oxobutanamide
N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL402315/
N-(4-bromo-2-((3R,5S)-3,5-dimethylpiperidine-1-carbonyl)phenyl)-4-morpholino-4-oxobutanamide
N-{4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl}-4-(morpholin-4-yl)-4-oxobutanamide
SX6

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

Density: 1.4±0.1 g/cm3
Boiling Point: 696.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.7±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.31
ACD/KOC (pH 5.5): 1060.41
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.31
ACD/KOC (pH 7.4): 1060.41
Polar Surface Area: 79 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 355.1±3.0 cm3

Click to predict properties on the Chemicalize site


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