N-{2-[2-(hydroxymethyl)piperidin-1-yl]ethyl}-5-(methoxymethyl)furan-2-carboxamide

• ChemBase ID: 790950
• Molecular Formular: C15H24N2O4
• Molecular Mass: 296.36206
• Monoisotopic Mass: 296.17360726
• SMILES: c1(oc(cc1)COC)C(=O)NCCN1C(CO)CCCC1
• Canonical SMILES: COCc1ccc(o1)C(=O)NCCN1CCCCC1CO
• InChI: InChI=1S/C15H24N2O4/c1-20-11-13-5-6-14(21-13)15(19)16-7-9-17-8-3-2-4-12(17)10-18/h5-6,12,18H,2-4,7-11H2,1H3,(H,16,19)
• InChIKey: HFSNBLQZMOGPHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(hydroxymethyl)piperidin-1-yl]ethyl}-5-(methoxymethyl)furan-2-carboxamide
• IUPAC Traditional name: N-{2-[2-(hydroxymethyl)piperidin-1-yl]ethyl}-5-(methoxymethyl)furan-2-carboxamide
• Synonyms: N-{2-[2-(hydroxymethyl)piperidin-1-yl]ethyl}-5-(methoxymethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.836614
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0611756
• LogD (pH = 7.4): -0.3494421
• Log P: 0.1422624
• Molar Refractivity: 79.9922 cm^3
• Polarizability: 30.598194 Å^3
• Polar Surface Area: 74.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.42
• LOG S: -1.72
• Polar Surface Area: 74.94 Å^2
• Rotatable Bonds: 7