2-(4-fluorophenyl)-1-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperidine

• ChemBase ID: 762499
• Molecular Formular: C20H20FN5O
• Molecular Mass: 365.4041032
• Monoisotopic Mass: 365.16518851
• SMILES: n1(nnnc1C)c1cc(C(=O)N2C(c3ccc(cc3)F)CCCC2)ccc1
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1C(=O)c1cccc(c1)n1nnnc1C
• InChI: InChI=1S/C20H20FN5O/c1-14-22-23-24-26(14)18-6-4-5-16(13-18)20(27)25-12-3-2-7-19(25)15-8-10-17(21)11-9-15/h4-6,8-11,13,19H,2-3,7,12H2,1H3
• InChIKey: GQJLISAOYASDEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperidine
• IUPAC Traditional name: 2-(4-fluorophenyl)-1-[3-(5-methyl-1,2,3,4-tetrazol-1-yl)benzoyl]piperidine
• Synonyms: 2-(4-fluorophenyl)-1-[3-(5-methyl-1H-tetrazol-1-yl)benzoyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2090352
• LogD (pH = 7.4): 3.2090356
• Log P: 3.2090356
• Molar Refractivity: 102.9466 cm^3
• Polarizability: 37.988655 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.24
• LOG S: -3.78
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 3