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

• ChemBase ID: 366440
• Molecular Formular: C26H33N3O2
• Molecular Mass: 419.55912
• Monoisotopic Mass: 419.25727731
• SMILES: C(=O)(N(CC1CN(C2CCCCC2)CCC1)Cc1cnccc1)C(=O)c1ccccc1
• Canonical SMILES: O=C(C(=O)c1ccccc1)N(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C26H33N3O2/c30-25(23-11-3-1-4-12-23)26(31)29(18-21-9-7-15-27-17-21)20-22-10-8-16-28(19-22)24-13-5-2-6-14-24/h1,3-4,7,9,11-12,15,17,22,24H,2,5-6,8,10,13-14,16,18-20H2
• InChIKey: VNZGTQKVWXNTMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5604326
• LogD (pH = 7.4): 2.021581
• Log P: 3.965932
• Molar Refractivity: 123.5115 cm^3
• Polarizability: 47.97635 Å^3
• Polar Surface Area: 53.51 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: 2.96
• LOG S: -3.0
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 7