ChemSpider 2D Image | (3S)-N~1~-(3-Methoxyphenyl)-4-(methylsulfonyl)-N~3~-[(3S)-2-oxo-3-piperidinyl]-1,3-piperazinedicarboxamide | C19H27N5O6S

(3S)-N1-(3-Methoxyphenyl)-4-(methylsulfonyl)-N3-[(3S)-2-oxo-3-piperidinyl]-1,3-piperazinedicarboxamide

  • Molecular FormulaC19H27N5O6S
  • Average mass453.513 Da
  • Monoisotopic mass453.168213 Da
  • ChemSpider ID21389144

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-N1-(3-Methoxyphenyl)-4-(methylsulfonyl)-N3-[(3S)-2-oxo-3-piperidinyl]-1,3-piperazindicarboxamid [German] [ACD/IUPAC Name]
(3S)-N1-(3-Methoxyphenyl)-4-(methylsulfonyl)-N3-[(3S)-2-oxo-3-piperidinyl]-1,3-piperazinedicarboxamide [ACD/IUPAC Name]
(3S)-N1-(3-Méthoxyphényl)-4-(méthylsulfonyl)-N3-[(3S)-2-oxo-3-pipéridinyl]-1,3-pipérazinedicarboxamide [French] [ACD/IUPAC Name]
1,3-Piperazinedicarboxamide, N1-(3-methoxyphenyl)-4-(methylsulfonyl)-N3-[(3S)-2-oxo-3-piperidinyl]-, (3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 112.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.19
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.19
Polar Surface Area: 146 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 317.5±5.0 cm3

Click to predict properties on the Chemicalize site


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