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

1-[4-(4-{[(2S)-2-Isopropyl-4-methyl-1-piperazinyl]carbonyl}phenoxy)-1-piperidinyl]-2-methoxyethanone

  • Molecular FormulaC23H35N3O4
  • Average mass417.542 Da
  • Monoisotopic mass417.262756 Da
  • ChemSpider ID22862605

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[4-(4-{[(2S)-2-Isopropyl-4-methyl-1-piperazinyl]carbonyl}phenoxy)-1-piperidinyl]-2-methoxyethanon [German] [ACD/IUPAC Name]
1-[4-(4-{[(2S)-2-Isopropyl-4-methyl-1-piperazinyl]carbonyl}phenoxy)-1-piperidinyl]-2-methoxyethanone [ACD/IUPAC Name]
1-[4-(4-{[(2S)-2-Isopropyl-4-méthyl-1-pipérazinyl]carbonyl}phénoxy)-1-pipéridinyl]-2-méthoxyéthanone [French] [ACD/IUPAC Name]
Ethanone, 2-methoxy-1-[4-[4-[[(2S)-4-methyl-2-(1-methylethyl)-1-piperazinyl]carbonyl]phenoxy]-1-piperidinyl]- [ACD/Index Name]
(2S)-2-isopropyl-1-(4-{[1-(methoxyacetyl)-4-piperidinyl]oxy}benzoyl)-4-methylpiperazine
1-(4-{4-[(2S)-2-ISOPROPYL-4-METHYLPIPERAZINE-1-CARBONYL]PHENOXY}PIPERIDIN-1-YL)-2-METHOXYETHANONE
2-METHOXY-1-(4-{4-[(2S)-4-METHYL-2-(PROPAN-2-YL)PIPERAZINE-1-CARBONYL]PHENOXY}PIPERIDIN-1-YL)ETHAN-1-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.6±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 15.91
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 15.61
ACD/KOC (pH 7.4): 235.26
Polar Surface Area: 62 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 369.4±3.0 cm3

Click to predict properties on the Chemicalize site


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