N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)acetamide

• ChemBase ID: 740257
• Molecular Formular: C20H31N3O2
• Molecular Mass: 345.47904
• Monoisotopic Mass: 345.24162725
• SMILES: N1(CC(CN(C(=O)CO)Cc2cnccc2)CCC1)C1CCCCC1
• Canonical SMILES: OCC(=O)N(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C20H31N3O2/c24-16-20(25)23(13-17-6-4-10-21-12-17)15-18-7-5-11-22(14-18)19-8-2-1-3-9-19/h4,6,10,12,18-19,24H,1-3,5,7-9,11,13-16H2
• InChIKey: IQIQFJXCUDXALL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)acetamide
• Synonyms: N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.631306
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0916367
• LogD (pH = 7.4): -1.1327496
• Log P: 1.4348506
• Molar Refractivity: 99.6017 cm^3
• Polarizability: 38.945465 Å^3
• Polar Surface Area: 56.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.77
• LOG S: -1.93
• Polar Surface Area: 56.67 Å^2
• Rotatable Bonds: 6