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

• ChemBase ID: 503706
• Molecular Formular: C15H25N5O2
• Molecular Mass: 307.3913
• Monoisotopic Mass: 307.20082507
• SMILES: c1(n(ncc1)C1CCN(CC(=O)N)CC1)NC(=O)C(C)(C)C
• Canonical SMILES: NC(=O)CN1CCC(CC1)n1nccc1NC(=O)C(C)(C)C
• InChI: InChI=1S/C15H25N5O2/c1-15(2,3)14(22)18-13-4-7-17-20(13)11-5-8-19(9-6-11)10-12(16)21/h4,7,11H,5-6,8-10H2,1-3H3,(H2,16,21)(H,18,22)
• InChIKey: UJLQMLZVNNPXQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.376603
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.4419736
• LogD (pH = 7.4): 0.026556537
• Log P: 0.2254905
• Molar Refractivity: 96.138 cm^3
• Polarizability: 32.38595 Å^3
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.22
• LOG S: -2.94
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 5