N-{3-[2-(4-hydroxypiperidin-1-yl)acetamido]phenyl}-3-phenylpropanamide

• ChemBase ID: 741540
• Molecular Formular: C22H27N3O3
• Molecular Mass: 381.46808
• Monoisotopic Mass: 381.20524174
• SMILES: C(=O)(Nc1cc(NC(=O)CCc2ccccc2)ccc1)CN1CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)CC(=O)Nc1cccc(c1)NC(=O)CCc1ccccc1
• InChI: InChI=1S/C22H27N3O3/c26-20-11-13-25(14-12-20)16-22(28)24-19-8-4-7-18(15-19)23-21(27)10-9-17-5-2-1-3-6-17/h1-8,15,20,26H,9-14,16H2,(H,23,27)(H,24,28)
• InChIKey: KWTYUEQOBNLKEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[2-(4-hydroxypiperidin-1-yl)acetamido]phenyl}-3-phenylpropanamide
• IUPAC Traditional name: N-{3-[2-(4-hydroxypiperidin-1-yl)acetamido]phenyl}-3-phenylpropanamide
• Synonyms: N-(3-{[(4-hydroxypiperidin-1-yl)acetyl]amino}phenyl)-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.158193
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.67538106
• LogD (pH = 7.4): 1.8512683
• Log P: 1.9371331
• Molar Refractivity: 112.2602 cm^3
• Polarizability: 42.146664 Å^3
• Polar Surface Area: 81.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.42
• LOG S: -3.19
• Polar Surface Area: 81.67 Å^2
• Rotatable Bonds: 7