3-(furan-2-yl)-3-(2-methoxyphenyl)-1-(piperidin-1-yl)propan-1-one

• ChemBase ID: 191934
• Molecular Formular: C19H23NO3
• Molecular Mass: 313.39082
• Monoisotopic Mass: 313.1677936
• SMILES: C(=O)(CC(c1occc1)c1c(OC)cccc1)N1CCCCC1
• Canonical SMILES: COc1ccccc1C(c1ccco1)CC(=O)N1CCCCC1
• InChI: InChI=1S/C19H23NO3/c1-22-17-9-4-3-8-15(17)16(18-10-7-13-23-18)14-19(21)20-11-5-2-6-12-20/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3
• InChIKey: IEGKXIUUVLFKLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-yl)-3-(2-methoxyphenyl)-1-(piperidin-1-yl)propan-1-one
• IUPAC Traditional name: 3-(furan-2-yl)-3-(2-methoxyphenyl)-1-(piperidin-1-yl)propan-1-one

Database IDs

• PubChem SID: 164247844
• PubChem CID: 3850562

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7917826
• LogD (pH = 7.4): 2.791783
• Log P: 2.791783
• Molar Refractivity: 89.2989 cm^3
• Polarizability: 34.510315 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds