1-{3-[2-(3-fluorophenyl)piperidin-1-yl]-3-oxopropyl}-1,2-dihydropyridin-2-one

• ChemBase ID: 409585
• Molecular Formular: C19H21FN2O2
• Molecular Mass: 328.3806432
• Monoisotopic Mass: 328.15870614
• SMILES: N1(C(=O)CCn2c(=O)cccc2)C(c2cc(F)ccc2)CCCC1
• Canonical SMILES: Fc1cccc(c1)C1CCCCN1C(=O)CCn1ccccc1=O
• InChI: InChI=1S/C19H21FN2O2/c20-16-7-5-6-15(14-16)17-8-1-4-12-22(17)19(24)10-13-21-11-3-2-9-18(21)23/h2-3,5-7,9,11,14,17H,1,4,8,10,12-13H2
• InChIKey: XHXBYIOPCHUBRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[2-(3-fluorophenyl)piperidin-1-yl]-3-oxopropyl}-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-{3-[2-(3-fluorophenyl)piperidin-1-yl]-3-oxopropyl}pyridin-2-one
• Synonyms: 1-{3-[2-(3-fluorophenyl)-1-piperidinyl]-3-oxopropyl}-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• Polarizability: 34.406822 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3732517
• LogD (pH = 7.4): 2.3732517
• Log P: 2.3732517
• Molar Refractivity: 91.9828 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 42.31 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 0
• Log P: 2.25
• LOG S: -3.52