Found 440 results

Search term: MF = 'C_{22}H_{38}N_{4}O_{4}'
ChemSpider 2D Image | [(3R,4S)-3-[2-(4-Carbamoyl-1-piperidinyl)ethyl]-1-(cyclohexylcarbamoyl)-4-piperidinyl]acetic acid | C22H38N4O4

[(3R,4S)-3-[2-(4-Carbamoyl-1-piperidinyl)ethyl]-1-(cyclohexylcarbamoyl)-4-piperidinyl]acetic acid

  • Molecular FormulaC22H38N4O4
  • Average mass422.561 Da
  • Monoisotopic mass422.289307 Da
  • ChemSpider ID22806311

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3R,4S)-3-[2-(4-Carbamoyl-1-piperidinyl)ethyl]-1-(cyclohexylcarbamoyl)-4-piperidinyl]acetic acid [ACD/IUPAC Name]
[(3R,4S)-3-[2-(4-Carbamoyl-1-piperidinyl)ethyl]-1-(cyclohexylcarbamoyl)-4-piperidinyl]essigsäure [German] [ACD/IUPAC Name]
4-Piperidineacetic acid, 3-[2-[4-(aminocarbonyl)-1-piperidinyl]ethyl]-1-[(cyclohexylamino)carbonyl]-, (3R,4S)- [ACD/Index Name]
Acide [(3R,4S)-3-[2-(4-carbamoyl-1-pipéridinyl)éthyl]-1-(cyclohexylcarbamoyl)-4-pipéridinyl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.2±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 384.5±30.9 °C
Index of Refraction: 1.573
Molar Refractivity: 114.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 347.8±5.0 cm3

Click to predict properties on the Chemicalize site


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