ChemSpider 2D Image | 1-[4-(5-{[(2S)-2-Isopropyl-4-methyl-1-piperazinyl]carbonyl}-2-methoxyphenoxy)-1-piperidinyl]ethanone | C23H35N3O4

1-[4-(5-{[(2S)-2-Isopropyl-4-methyl-1-piperazinyl]carbonyl}-2-methoxyphenoxy)-1-piperidinyl]ethanone

  • Molecular FormulaC23H35N3O4
  • Average mass417.542 Da
  • Monoisotopic mass417.262756 Da
  • ChemSpider ID22860095

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[4-(5-{[(2S)-2-Isopropyl-4-methyl-1-piperazinyl]carbonyl}-2-methoxyphenoxy)-1-piperidinyl]ethanon [German] [ACD/IUPAC Name]
1-[4-(5-{[(2S)-2-Isopropyl-4-methyl-1-piperazinyl]carbonyl}-2-methoxyphenoxy)-1-piperidinyl]ethanone [ACD/IUPAC Name]
1-[4-(5-{[(2S)-2-Isopropyl-4-méthyl-1-pipérazinyl]carbonyl}-2-méthoxyphénoxy)-1-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[2-methoxy-5-[[(2S)-4-methyl-2-(1-methylethyl)-1-piperazinyl]carbonyl]phenoxy]-1-piperidinyl]- [ACD/Index Name]
(2S)-1-{3-[(1-acetyl-4-piperidinyl)oxy]-4-methoxybenzoyl}-2-isopropyl-4-methylpiperazine
1-(4-{2-METHOXY-5-[(2S)-4-METHYL-2-(PROPAN-2-YL)PIPERAZINE-1-CARBONYL]PHENOXY}PIPERIDIN-1-YL)ETHAN-1-ONE
1-(4-{5-[(2S)-2-ISOPROPYL-4-METHYLPIPERAZINE-1-CARBONYL]-2-METHOXYPHENOXY}PIPERIDIN-1-YL)ETHANONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 590.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.9±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 17.70
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 16.71
ACD/KOC (pH 7.4): 247.94
Polar Surface Area: 62 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 370.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement