1-{3-[2-(3-fluorophenyl)piperidine-1-carbonyl]phenyl}pyrrolidin-2-one

• ChemBase ID: 672477
• Molecular Formular: C22H23FN2O2
• Molecular Mass: 366.4286232
• Monoisotopic Mass: 366.17435621
• SMILES: N1(C(=O)c2cc(N3C(=O)CCC3)ccc2)C(c2cc(F)ccc2)CCCC1
• Canonical SMILES: Fc1cccc(c1)C1CCCCN1C(=O)c1cccc(c1)N1CCCC1=O
• InChI: InChI=1S/C22H23FN2O2/c23-18-8-3-6-16(14-18)20-10-1-2-12-25(20)22(27)17-7-4-9-19(15-17)24-13-5-11-21(24)26/h3-4,6-9,14-15,20H,1-2,5,10-13H2
• InChIKey: RBBTURSEMGRBDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[2-(3-fluorophenyl)piperidine-1-carbonyl]phenyl}pyrrolidin-2-one
• IUPAC Traditional name: 1-{3-[2-(3-fluorophenyl)piperidine-1-carbonyl]phenyl}pyrrolidin-2-one
• Synonyms: 1-(3-{[2-(3-fluorophenyl)-1-piperidinyl]carbonyl}phenyl)-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3773258
• LogD (pH = 7.4): 3.377326
• Log P: 3.377326
• Molar Refractivity: 102.4452 cm^3
• Polarizability: 38.721672 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.33
• LOG S: -3.86
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3