ChemSpider 2D Image | 1-{[(3R,4S)-3-({5-[4-(2-Methyl-2-propanyl)phenyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]acetyl}-4-piperidinecarboxamide | C27H38N4O3

1-{[(3R,4S)-3-({5-[4-(2-Methyl-2-propanyl)phenyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]acetyl}-4-piperidinecarboxamide

  • Molecular FormulaC27H38N4O3
  • Average mass466.616 Da
  • Monoisotopic mass466.294403 Da
  • ChemSpider ID21385062

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{[(3R,4S)-3-({5-[4-(2-Methyl-2-propanyl)phenyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]acetyl}-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-{[(3R,4S)-3-({5-[4-(2-Methyl-2-propanyl)phenyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]acetyl}-4-piperidinecarboxamide [ACD/IUPAC Name]
1-{2-[(3R,4S)-3-({5-[4-(2-Méthyl-2-propanyl)phényl]-1,2-oxazol-3-yl}méthyl)-4-pipéridinyl]acétyl}-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[2-[(3R,4S)-3-[[5-[4-(1,1-dimethylethyl)phenyl]-3-isoxazolyl]methyl]-4-piperidinyl]acetyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 691.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.2±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 130.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.51
Polar Surface Area: 101 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 412.0±3.0 cm3

Click to predict properties on the Chemicalize site


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