3-methyl-3-phenyl-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine

• ChemBase ID: 438766
• Molecular Formular: C18H19N5O
• Molecular Mass: 321.37636
• Monoisotopic Mass: 321.15896025
• SMILES: c12n(nnn1)ccc(C(=O)N1CC(c3ccccc3)(CCC1)C)c2
• Canonical SMILES: O=C(c1ccn2c(c1)nnn2)N1CCCC(C1)(C)c1ccccc1
• InChI: InChI=1S/C18H19N5O/c1-18(15-6-3-2-4-7-15)9-5-10-22(13-18)17(24)14-8-11-23-16(12-14)19-20-21-23/h2-4,6-8,11-12H,5,9-10,13H2,1H3
• InChIKey: BAFCKTRYIOCTSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-3-phenyl-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine
• IUPAC Traditional name: 3-methyl-3-phenyl-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine
• Synonyms: 7-[(3-methyl-3-phenylpiperidin-1-yl)carbonyl]tetrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8280687
• LogD (pH = 7.4): 2.8280687
• Log P: 2.8280687
• Molar Refractivity: 104.1293 cm^3
• Polarizability: 34.284058 Å^3
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.63
• LOG S: -3.51
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 2