ChemSpider 2D Image | N-(1-Benzyl-3-pyrrolidinyl)-3-{1-[3-(methylsulfanyl)benzyl]-4-piperidinyl}propanamide | C27H37N3OS

N-(1-Benzyl-3-pyrrolidinyl)-3-{1-[3-(methylsulfanyl)benzyl]-4-piperidinyl}propanamide

  • Molecular FormulaC27H37N3OS
  • Average mass451.667 Da
  • Monoisotopic mass451.265747 Da
  • ChemSpider ID22231781

More details:

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

4-Piperidinepropanamide, 1-[[3-(methylthio)phenyl]methyl]-N-[1-(phenylmethyl)-3-pyrrolidinyl]- [ACD/Index Name]
N-(1-Benzyl-3-pyrrolidinyl)-3-{1-[3-(methylsulfanyl)benzyl]-4-piperidinyl}propanamid [German] [ACD/IUPAC Name]
N-(1-Benzyl-3-pyrrolidinyl)-3-{1-[3-(methylsulfanyl)benzyl]-4-piperidinyl}propanamide [ACD/IUPAC Name]
N-(1-Benzyl-3-pyrrolidinyl)-3-{1-[3-(méthylsulfanyl)benzyl]-4-pipéridinyl}propanamide [French] [ACD/IUPAC Name]
N-(1-benzyl-3-pyrrolidinyl)-3-{1-[3-(methylthio)benzyl]-4-piperidinyl}propanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 618.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.6±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 5.30
ACD/KOC (pH 7.4): 23.51
Polar Surface Area: 61 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 388.5±5.0 cm3

Click to predict properties on the Chemicalize site


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