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

• ChemBase ID: 407185
• Molecular Formular: C25H38N4O2
• Molecular Mass: 426.59482
• Monoisotopic Mass: 426.29947648
• SMILES: N1(C(=O)CCCC1)CC(=O)N(CC1CN(C2CCCCC2)CCC1)Cc1cnccc1
• Canonical SMILES: O=C(N(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1)CN1CCCCC1=O
• InChI: InChI=1S/C25H38N4O2/c30-24-12-4-5-14-28(24)20-25(31)29(17-21-8-6-13-26-16-21)19-22-9-7-15-27(18-22)23-10-2-1-3-11-23/h6,8,13,16,22-23H,1-5,7,9-12,14-15,17-20H2
• InChIKey: QKXARWMHHYCQTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
• Synonyms: N-[(1-cyclohexyl-3-piperidinyl)methyl]-2-(2-oxo-1-piperidinyl)-N-(3-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.428205
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4844248
• LogD (pH = 7.4): -0.5255378
• Log P: 2.042063
• Molar Refractivity: 123.096 cm^3
• Polarizability: 48.014523 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.73
• LOG S: -2.02
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7