N-{1-[1-(2-aminoacetyl)piperidin-4-yl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide

• ChemBase ID: 844142
• Molecular Formular: C15H25N5O2
• Molecular Mass: 307.3913
• Monoisotopic Mass: 307.20082507
• SMILES: c1(n(ncc1)C1CCN(C(=O)CN)CC1)NC(=O)C(C)(C)C
• Canonical SMILES: NCC(=O)N1CCC(CC1)n1nccc1NC(=O)C(C)(C)C
• InChI: InChI=1S/C15H25N5O2/c1-15(2,3)14(22)18-12-4-7-17-20(12)11-5-8-19(9-6-11)13(21)10-16/h4,7,11H,5-6,8-10,16H2,1-3H3,(H,18,22)
• InChIKey: OPTJXJUKDPGEMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(2-aminoacetyl)piperidin-4-yl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
• IUPAC Traditional name: N-{2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl}-2,2-dimethylpropanamide
• Synonyms: N-[1-(1-glycylpiperidin-4-yl)-1H-pyrazol-5-yl]-2,2-dimethylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.37845
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6307874
• LogD (pH = 7.4): -0.94663167
• Log P: -0.1427857
• Molar Refractivity: 95.8621 cm^3
• Polarizability: 32.463734 Å^3
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.19
• LOG S: -2.91
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 4