ChemSpider 2D Image | N-{1-[(1-Carbamoylcyclopropyl)methyl]-4-piperidinyl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide | C23H30F3N3O3

N-{1-[(1-Carbamoylcyclopropyl)methyl]-4-piperidinyl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide

  • Molecular FormulaC23H30F3N3O3
  • Average mass453.498 Da
  • Monoisotopic mass453.223938 Da
  • ChemSpider ID23335576
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Benzamide, N-[1-[[1-(aminocarbonyl)cyclopropyl]methyl]-4-piperidinyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]- [ACD/Index Name]
N-{1-[(1-Carbamoylcyclopropyl)methyl]-4-piperidinyl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluor-2-hydroxy-2-propanyl]benzamid [German] [ACD/IUPAC Name]
N-{1-[(1-Carbamoylcyclopropyl)methyl]-4-piperidinyl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide [ACD/IUPAC Name]
N-{1-[(1-Carbamoylcyclopropyl)méthyl]-4-pipéridinyl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxy-2-propanyl]benzamide [French] [ACD/IUPAC Name]
N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
(S)-N-(1-((1-carbamoylcyclopropyl)methyl)piperidin-4-yl)-N-cyclopropyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
A49
N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
piperidyl benzamide derivative, 15

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 638.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 340.0±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.19
Polar Surface Area: 87 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 335.7±5.0 cm3

Click to predict properties on the Chemicalize site






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