4-(3-hydroxypiperidin-1-yl)-N-(5-methoxy-2-methylphenyl)piperidine-1-carboxamide

• ChemBase ID: 497978
• Molecular Formular: C19H29N3O3
• Molecular Mass: 347.45186
• Monoisotopic Mass: 347.2208918
• SMILES: C(=O)(N1CCC(N2CC(O)CCC2)CC1)Nc1cc(ccc1C)OC
• Canonical SMILES: COc1ccc(c(c1)NC(=O)N1CCC(CC1)N1CCCC(C1)O)C
• InChI: InChI=1S/C19H29N3O3/c1-14-5-6-17(25-2)12-18(14)20-19(24)21-10-7-15(8-11-21)22-9-3-4-16(23)13-22/h5-6,12,15-16,23H,3-4,7-11,13H2,1-2H3,(H,20,24)
• InChIKey: LRXDNRIIYDFUNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-hydroxypiperidin-1-yl)-N-(5-methoxy-2-methylphenyl)piperidine-1-carboxamide
• IUPAC Traditional name: 4-(3-hydroxypiperidin-1-yl)-N-(5-methoxy-2-methylphenyl)piperidine-1-carboxamide
• Synonyms: 3-hydroxy-N-(5-methoxy-2-methylphenyl)-1,4'-bipiperidine-1'-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.12652
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.7821218
• LogD (pH = 7.4): -0.2590705
• Log P: 1.4827815
• Molar Refractivity: 99.8501 cm^3
• Polarizability: 37.892693 Å^3
• Polar Surface Area: 65.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.93
• LOG S: -3.38
• Polar Surface Area: 65.04 Å^2
• Rotatable Bonds: 3