3-[4-hydroxy-4-(pyridin-2-yl)piperidin-1-yl]-N-[4-(propan-2-yl)phenyl]propanamide

• ChemBase ID: 411881
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: C1(CCN(CCC(=O)Nc2ccc(cc2)C(C)C)CC1)(c1ncccc1)O
• Canonical SMILES: O=C(Nc1ccc(cc1)C(C)C)CCN1CCC(CC1)(O)c1ccccn1
• InChI: InChI=1S/C22H29N3O2/c1-17(2)18-6-8-19(9-7-18)24-21(26)10-14-25-15-11-22(27,12-16-25)20-5-3-4-13-23-20/h3-9,13,17,27H,10-12,14-16H2,1-2H3,(H,24,26)
• InChIKey: MOIUYUQMBIHGMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-hydroxy-4-(pyridin-2-yl)piperidin-1-yl]-N-[4-(propan-2-yl)phenyl]propanamide
• IUPAC Traditional name: 3-[4-hydroxy-4-(pyridin-2-yl)piperidin-1-yl]-N-(4-isopropylphenyl)propanamide
• Synonyms: 3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-isopropylphenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.332029
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.08782675
• LogD (pH = 7.4): 1.6781411
• Log P: 2.718956
• Molar Refractivity: 108.9378 cm^3
• Polarizability: 41.81546 Å^3
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.4
• LOG S: -3.93
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 6