1-cyclopropyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide

• ChemBase ID: 847798
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: N1(CC(C(=O)NCCn2ncc(c2)C)CCC1=O)C1CC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CC1)NCCn1ncc(c1)C
• InChI: InChI=1S/C15H22N4O2/c1-11-8-17-18(9-11)7-6-16-15(21)12-2-5-14(20)19(10-12)13-3-4-13/h8-9,12-13H,2-7,10H2,1H3,(H,16,21)
• InChIKey: CHNISFCVCSLHIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
• Synonyms: 1-cyclopropyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.47607
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.0924666
• LogD (pH = 7.4): 0.09258619
• Log P: 0.09258772
• Molar Refractivity: 89.8052 cm^3
• Polarizability: 30.150082 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.35
• LOG S: -2.33
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5