N-{2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl}-3-hydroxybenzamide

• ChemBase ID: 730684
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: N1(Cc2occc2)CC(CCNC(=O)c2cc(O)ccc2)CCC1
• Canonical SMILES: Oc1cccc(c1)C(=O)NCCC1CCCN(C1)Cc1ccco1
• InChI: InChI=1S/C19H24N2O3/c22-17-6-1-5-16(12-17)19(23)20-9-8-15-4-2-10-21(13-15)14-18-7-3-11-24-18/h1,3,5-7,11-12,15,22H,2,4,8-10,13-14H2,(H,20,23)
• InChIKey: GUNCJZSDYUBCRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl}-3-hydroxybenzamide
• IUPAC Traditional name: N-{2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl}-3-hydroxybenzamide
• Synonyms: N-{2-[1-(2-furylmethyl)piperidin-3-yl]ethyl}-3-hydroxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.087169
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.5826563
• LogD (pH = 7.4): 1.0998042
• Log P: 1.8908683
• Molar Refractivity: 93.8876 cm^3
• Polarizability: 35.75115 Å^3
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.33
• LOG S: -3.0
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 6