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

• ChemBase ID: 690627
• Molecular Formular: C18H27N3O3
• Molecular Mass: 333.42528
• Monoisotopic Mass: 333.20524174
• SMILES: C(=O)(Nc1ccc(NC(=O)CCCC)cc1)CN1CCC(CC1)O
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1)NC(=O)CN1CCC(CC1)O
• InChI: InChI=1S/C18H27N3O3/c1-2-3-4-17(23)19-14-5-7-15(8-6-14)20-18(24)13-21-11-9-16(22)10-12-21/h5-8,16,22H,2-4,9-13H2,1H3,(H,19,23)(H,20,24)
• InChIKey: SYHFNSIDHARSDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.528161
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.03262507
• LogD (pH = 7.4): 1.1583892
• Log P: 1.2478979
• Molar Refractivity: 96.7662 cm^3
• Polarizability: 36.241077 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: 1.02
• LOG S: -2.51
• Polar Surface Area: 81.67 Å^2
• Rotatable Bonds: 7