N-[1-(1-cyclopentylpiperidin-4-yl)-1H-pyrazol-5-yl]-2-methoxy-2-phenylacetamide

• ChemBase ID: 476520
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: c1(n(ncc1)C1CCN(CC1)C1CCCC1)NC(=O)C(c1ccccc1)OC
• Canonical SMILES: COC(c1ccccc1)C(=O)Nc1ccnn1C1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H30N4O2/c1-28-21(17-7-3-2-4-8-17)22(27)24-20-11-14-23-26(20)19-12-15-25(16-13-19)18-9-5-6-10-18/h2-4,7-8,11,14,18-19,21H,5-6,9-10,12-13,15-16H2,1H3,(H,24,27)
• InChIKey: HKGGRJKXIJZXHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-cyclopentylpiperidin-4-yl)-1H-pyrazol-5-yl]-2-methoxy-2-phenylacetamide
• IUPAC Traditional name: N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]-2-methoxy-2-phenylacetamide
• Synonyms: N-[1-(1-cyclopentyl-4-piperidinyl)-1H-pyrazol-5-yl]-2-methoxy-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.708108
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5488976
• LogD (pH = 7.4): 0.60400313
• Log P: 2.8719232
• Molar Refractivity: 121.7533 cm^3
• Polarizability: 42.54369 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.3
• LOG S: -4.83
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5