ChemSpider 2D Image | Ethyl N-[(3-{3-[(3-methoxybenzyl)amino]-3-oxopropyl}-1-piperidinyl)carbonyl]glycinate | C21H31N3O5

Ethyl N-[(3-{3-[(3-methoxybenzyl)amino]-3-oxopropyl}-1-piperidinyl)carbonyl]glycinate

  • Molecular FormulaC21H31N3O5
  • Average mass405.488 Da
  • Monoisotopic mass405.226379 Da
  • ChemSpider ID22130555

More details:

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

Ethyl N-[(3-{3-[(3-methoxybenzyl)amino]-3-oxopropyl}-1-piperidinyl)carbonyl]glycinate [ACD/IUPAC Name]
Ethyl-N-[(3-{3-[(3-methoxybenzyl)amino]-3-oxopropyl}-1-piperidinyl)carbonyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[3-[3-[[(3-methoxyphenyl)methyl]amino]-3-oxopropyl]-1-piperidinyl]carbonyl]-, ethyl ester [ACD/Index Name]
N-[(3-{3-[(3-Méthoxybenzyl)amino]-3-oxopropyl}-1-pipéridinyl)carbonyl]glycinate d'éthyle [French] [ACD/IUPAC Name]
ETHYL 2-[3-(2-{[(3-METHOXYPHENYL)METHYL]CARBAMOYL}ETHYL)PIPERIDINE-1-CARBONYLAMINO]ACETATE
ETHYL 2-{[3-(2-{[(3-METHOXYPHENYL)METHYL]CARBAMOYL}ETHYL)PIPERIDINE-1-CARBONYL]AMINO}ACETATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 673.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.3±28.7 °C
Index of Refraction: 1.529
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.59
ACD/KOC (pH 5.5): 292.74
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.59
ACD/KOC (pH 7.4): 292.74
Polar Surface Area: 97 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 351.8±3.0 cm3

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