2-{3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl}-1,8-naphthyridine

• ChemBase ID: 336037
• Molecular Formular: C22H22FN3O
• Molecular Mass: 363.4279832
• Monoisotopic Mass: 363.17469056
• SMILES: N1(C(=O)c2nc3ncccc3cc2)CC(CCc2c(F)cccc2)CCC1
• Canonical SMILES: O=C(c1ccc2c(n1)nccc2)N1CCCC(C1)CCc1ccccc1F
• InChI: InChI=1S/C22H22FN3O/c23-19-8-2-1-6-17(19)10-9-16-5-4-14-26(15-16)22(27)20-12-11-18-7-3-13-24-21(18)25-20/h1-3,6-8,11-13,16H,4-5,9-10,14-15H2
• InChIKey: DOFOEZDNYMPWBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl}-1,8-naphthyridine
• IUPAC Traditional name: 2-{3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl}-1,8-naphthyridine
• Synonyms: 2-({3-[2-(2-fluorophenyl)ethyl]-1-piperidinyl}carbonyl)-1,8-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3030553
• LogD (pH = 7.4): 4.3030577
• Log P: 4.3030577
• Molar Refractivity: 104.022 cm^3
• Polarizability: 39.54478 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.07
• LOG S: -4.47
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 4