1-[3-(3-methoxypropyl)piperidin-1-yl]-2-(thiophen-3-yl)ethan-1-one

• ChemBase ID: 794247
• Molecular Formular: C15H23NO2S
• Molecular Mass: 281.41362
• Monoisotopic Mass: 281.14494998
• SMILES: N1(C(=O)Cc2cscc2)CC(CCC1)CCCOC
• Canonical SMILES: COCCCC1CCCN(C1)C(=O)Cc1cscc1
• InChI: InChI=1S/C15H23NO2S/c1-18-8-3-5-13-4-2-7-16(11-13)15(17)10-14-6-9-19-12-14/h6,9,12-13H,2-5,7-8,10-11H2,1H3
• InChIKey: GSBOERXKOCJRMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(3-methoxypropyl)piperidin-1-yl]-2-(thiophen-3-yl)ethan-1-one
• IUPAC Traditional name: 1-[3-(3-methoxypropyl)piperidin-1-yl]-2-(thiophen-3-yl)ethanone
• Synonyms: 3-(3-methoxypropyl)-1-(3-thienylacetyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3427696
• LogD (pH = 7.4): 2.3427699
• Log P: 2.3427699
• Molar Refractivity: 78.5825 cm^3
• Polarizability: 30.409784 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.31
• LOG S: -3.23
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6