ChemSpider 2D Image | (3S)-4-[4-(Dimethylamino)benzoyl]-N~1~-(3-methoxyphenyl)-N~3~-[(3S)-2-oxo-3-piperidinyl]-1,3-piperazinedicarboxamide | C27H34N6O5

(3S)-4-[4-(Dimethylamino)benzoyl]-N1-(3-methoxyphenyl)-N3-[(3S)-2-oxo-3-piperidinyl]-1,3-piperazinedicarboxamide

  • Molecular FormulaC27H34N6O5
  • Average mass522.596 Da
  • Monoisotopic mass522.259094 Da
  • ChemSpider ID10085997

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-4-[4-(Dimethylamino)benzoyl]-N1-(3-methoxyphenyl)-N3-[(3S)-2-oxo-3-piperidinyl]-1,3-piperazindicarboxamid [German] [ACD/IUPAC Name]
(3S)-4-[4-(Dimethylamino)benzoyl]-N1-(3-methoxyphenyl)-N3-[(3S)-2-oxo-3-piperidinyl]-1,3-piperazinedicarboxamide [ACD/IUPAC Name]
(3S)-4-[4-(Diméthylamino)benzoyl]-N1-(3-méthoxyphényl)-N3-[(3S)-2-oxo-3-pipéridinyl]-1,3-pipérazinedicarboxamide [French] [ACD/IUPAC Name]
1,3-Piperazinedicarboxamide, 4-[4-(dimethylamino)benzoyl]-N1-(3-methoxyphenyl)-N3-[(3S)-2-oxo-3-piperidinyl]-, (3S)- [ACD/Index Name]

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

ZINC05397368 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 896.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 495.7±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.06
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.31
ACD/KOC (pH 5.5): 41.90
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 42.68
Polar Surface Area: 123 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 391.8±5.0 cm3

Click to predict properties on the Chemicalize site


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