ChemSpider 2D Image | (3R)-N~1~-(4-Acetylphenyl)-4-(4-methoxybenzoyl)-N~3~-[(3S)-2-oxo-3-piperidinyl]-1,3-piperazinedicarboxamide | C27H31N5O6

(3R)-N1-(4-Acetylphenyl)-4-(4-methoxybenzoyl)-N3-[(3S)-2-oxo-3-piperidinyl]-1,3-piperazinedicarboxamide

  • Molecular FormulaC27H31N5O6
  • Average mass521.565 Da
  • Monoisotopic mass521.227417 Da
  • ChemSpider ID5987427

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-N1-(4-Acetylphenyl)-4-(4-methoxybenzoyl)-N3-[(3S)-2-oxo-3-piperidinyl]-1,3-piperazindicarboxamid [German] [ACD/IUPAC Name]
(3R)-N1-(4-Acetylphenyl)-4-(4-methoxybenzoyl)-N3-[(3S)-2-oxo-3-piperidinyl]-1,3-piperazinedicarboxamide [ACD/IUPAC Name]
(3R)-N1-(4-Acétylphényl)-4-(4-méthoxybenzoyl)-N3-[(3S)-2-oxo-3-pipéridinyl]-1,3-pipérazinedicarboxamide [French] [ACD/IUPAC Name]
1,3-Piperazinedicarboxamide, N1-(4-acetylphenyl)-4-(4-methoxybenzoyl)-N3-[(3S)-2-oxo-3-piperidinyl]-, (3R)- [ACD/Index Name]

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

ZINC05413847 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 919.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.8±3.0 kJ/mol
Flash Point: 509.9±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.48
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.36
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.36
Polar Surface Area: 137 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 382.3±5.0 cm3

Click to predict properties on the Chemicalize site


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