N-(3-hydroxypropyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide

• ChemBase ID: 674412
• Molecular Formular: C18H26N2O4
• Molecular Mass: 334.41004
• Monoisotopic Mass: 334.18925732
• SMILES: N1(C(=O)CCC(C(=O)NCCCO)C1)CCc1ccc(cc1)OC
• Canonical SMILES: OCCCNC(=O)C1CCC(=O)N(C1)CCc1ccc(cc1)OC
• InChI: InChI=1S/C18H26N2O4/c1-24-16-6-3-14(4-7-16)9-11-20-13-15(5-8-17(20)22)18(23)19-10-2-12-21/h3-4,6-7,15,21H,2,5,8-13H2,1H3,(H,19,23)
• InChIKey: AJMCPVNHIBNPJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxypropyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: N-(3-hydroxypropyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
• Synonyms: N-(3-hydroxypropyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.442828
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.109341465
• LogD (pH = 7.4): 0.10934164
• Log P: 0.109341644
• Molar Refractivity: 91.5489 cm^3
• Polarizability: 35.429478 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.4
• LOG S: -1.98
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 8