ChemSpider 2D Image | N-{1-[2-(Methylamino)-2-oxoethyl]-4-piperidinyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide | C13H20N6O4

N-{1-[2-(Methylamino)-2-oxoethyl]-4-piperidinyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide

  • Molecular FormulaC13H20N6O4
  • Average mass324.336 Da
  • Monoisotopic mass324.154602 Da
  • ChemSpider ID26222669

More details:

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

1-Piperidineacetamide, N-methyl-4-[[2-(4-nitro-1H-pyrazol-1-yl)acetyl]amino]- [ACD/Index Name]
N-{1-[2-(Methylamino)-2-oxoethyl]-4-piperidinyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamid [German] [ACD/IUPAC Name]
N-{1-[2-(Methylamino)-2-oxoethyl]-4-piperidinyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide [ACD/IUPAC Name]
N-{1-[2-(Méthylamino)-2-oxoéthyl]-4-pipéridinyl}-2-(4-nitro-1H-pyrazol-1-yl)acétamide [French] [ACD/IUPAC Name]
N-METHYL-2-{4-[2-(4-NITRO-1H-PYRAZOL-1-YL)ACETAMIDO]PIPERIDIN-1-YL}ACETAMIDE
N-METHYL-2-{4-[2-(4-NITROPYRAZOL-1-YL)ACETAMIDO]PIPERIDIN-1-YL}ACETAMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 646.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.6±31.5 °C
Index of Refraction: 1.665
Molar Refractivity: 81.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.70
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.07
Polar Surface Area: 125 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 219.7±7.0 cm3

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