3-[(1-cyclopentylpiperidin-4-yl)oxy]-N-[1-(3-methylpyridin-2-yl)propan-2-yl]benzamide

• ChemBase ID: 479296
• Molecular Formular: C26H35N3O2
• Molecular Mass: 421.575
• Monoisotopic Mass: 421.27292738
• SMILES: C(=O)(NC(Cc1ncccc1C)C)c1cc(OC2CCN(CC2)C2CCCC2)ccc1
• Canonical SMILES: CC(Cc1ncccc1C)NC(=O)c1cccc(c1)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C26H35N3O2/c1-19-7-6-14-27-25(19)17-20(2)28-26(30)21-8-5-11-24(18-21)31-23-12-15-29(16-13-23)22-9-3-4-10-22/h5-8,11,14,18,20,22-23H,3-4,9-10,12-13,15-17H2,1-2H3,(H,28,30)
• InChIKey: UHHZPQVTIWMGEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-cyclopentylpiperidin-4-yl)oxy]-N-[1-(3-methylpyridin-2-yl)propan-2-yl]benzamide
• IUPAC Traditional name: 3-[(1-cyclopentylpiperidin-4-yl)oxy]-N-[1-(3-methylpyridin-2-yl)propan-2-yl]benzamide
• Synonyms: 3-[(1-cyclopentyl-4-piperidinyl)oxy]-N-[1-methyl-2-(3-methyl-2-pyridinyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.694678
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.514602
• LogD (pH = 7.4): 1.9341453
• Log P: 4.0266805
• Molar Refractivity: 124.4535 cm^3
• Polarizability: 48.311386 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.69
• LOG S: -5.82
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7