ChemSpider 2D Image | [4-(4-Methyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl][(3R,5S)-5-(4-morpholinylcarbonyl)-3-piperidinyl]methanone | C19H30N6O3

[4-(4-Methyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl][(3R,5S)-5-(4-morpholinylcarbonyl)-3-piperidinyl]methanone

  • Molecular FormulaC19H30N6O3
  • Average mass390.480 Da
  • Monoisotopic mass390.237946 Da
  • ChemSpider ID30939973

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[4-(4-Methyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl][(3R,5S)-5-(4-morpholinylcarbonyl)-3-piperidinyl]methanon [German] [ACD/IUPAC Name]
[4-(4-Methyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl][(3R,5S)-5-(4-morpholinylcarbonyl)-3-piperidinyl]methanone [ACD/IUPAC Name]
[4-(4-Méthyl-4H-1,2,4-triazol-3-yl)-1-pipéridinyl][(3R,5S)-5-(4-morpholinylcarbonyl)-3-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-piperidinyl][(3R,5S)-5-(4-morpholinylcarbonyl)-3-piperidinyl]- [ACD/Index Name]
4-[((3S*,5R*)-5-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]carbonyl}piperidin-3-yl)carbonyl]morpholine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 678.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.1±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 103.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -3.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 93 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 271.0±7.0 cm3

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