ChemSpider 2D Image | (2E)-3-{2,3-Bis[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-(1-piperidinylcarbonyl)cyclobutyl}-1-(1-piperidinyl)-2-propen-1-one | C36H40N2O6

(2E)-3-{2,3-Bis[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-(1-piperidinylcarbonyl)cyclobutyl}-1-(1-piperidinyl)-2-propen-1-one

  • Molecular FormulaC36H40N2O6
  • Average mass596.713 Da
  • Monoisotopic mass596.288635 Da
  • ChemSpider ID35014954
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-{2,3-Bis[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-(1-piperidinylcarbonyl)cyclobutyl}-1-(1-piperidinyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-{2,3-Bis[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-(1-piperidinylcarbonyl)cyclobutyl}-1-(1-piperidinyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-{2,3-Bis[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-(1-pipéridinylcarbonyl)cyclobutyl}-1-(1-pipéridinyl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[2,3-bis[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(1-piperidinylcarbonyl)cyclobutyl]-1-(1-piperidinyl)-, (2E)- [ACD/Index Name]
(2E)-3-{2,3-bis[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl}-1-(piperidin-1-yl)prop-2-en-1-one
(2E)-3-{2,3-bis[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-4-[(piperidin-1-yl)carbonyl]cyclobutyl}-1-(piperidin-1-yl)prop-2-en-1-one
Dipiperamide D

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 809.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 443.3±34.3 °C
Index of Refraction: 1.731
Molar Refractivity: 174.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5020.80
ACD/KOC (pH 5.5): 15509.78
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5020.80
ACD/KOC (pH 7.4): 15509.80
Polar Surface Area: 78 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 437.5±3.0 cm3

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