ChemSpider 2D Image | N-Ethyl-N-{1-[3-(4-methyl-1-piperidinyl)-3-phenylpropyl]-4-piperidinyl}-2-[4-(methylsulfonyl)phenyl]acetamide | C31H45N3O3S

N-Ethyl-N-{1-[3-(4-methyl-1-piperidinyl)-3-phenylpropyl]-4-piperidinyl}-2-[4-(methylsulfonyl)phenyl]acetamide

  • Molecular FormulaC31H45N3O3S
  • Average mass539.772 Da
  • Monoisotopic mass539.318176 Da
  • ChemSpider ID2280692

More details:

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

Benzeneacetamide, N-ethyl-N-[1-[3-(4-methyl-1-piperidinyl)-3-phenylpropyl]-4-piperidinyl]-4-(methylsulfonyl)- [ACD/Index Name]
N-Ethyl-N-{1-[3-(4-methyl-1-piperidinyl)-3-phenylpropyl]-4-piperidinyl}-2-[4-(methylsulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
N-Ethyl-N-{1-[3-(4-methyl-1-piperidinyl)-3-phenylpropyl]-4-piperidinyl}-2-[4-(methylsulfonyl)phenyl]acetamide [ACD/IUPAC Name]
N-Éthyl-N-{1-[3-(4-méthyl-1-pipéridinyl)-3-phénylpropyl]-4-pipéridinyl}-2-[4-(méthylsulfonyl)phényl]acétamide [French] [ACD/IUPAC Name]

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

AIDS218092 [DBID]
AIDS-218092 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 704.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 380.0±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 4.60
ACD/KOC (pH 7.4): 24.72
Polar Surface Area: 69 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 457.4±5.0 cm3

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