4-(2-methoxyphenoxy)-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}piperidine

• ChemBase ID: 510928
• Molecular Formular: C18H19N5O3
• Molecular Mass: 353.37516
• Monoisotopic Mass: 353.14878949
• SMILES: n12c(nnn1)ccc(C(=O)N1CCC(Oc3c(OC)cccc3)CC1)c2
• Canonical SMILES: COc1ccccc1OC1CCN(CC1)C(=O)c1ccc2n(c1)nnn2
• InChI: InChI=1S/C18H19N5O3/c1-25-15-4-2-3-5-16(15)26-14-8-10-22(11-9-14)18(24)13-6-7-17-19-20-21-23(17)12-13/h2-7,12,14H,8-11H2,1H3
• InChIKey: XRABKZCPCRNVCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenoxy)-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}piperidine
• IUPAC Traditional name: 4-(2-methoxyphenoxy)-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}piperidine
• Synonyms: 6-{[4-(2-methoxyphenoxy)-1-piperidinyl]carbonyl}tetrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.5954648
• LogD (pH = 7.4): 1.595465
• Log P: 1.595465
• Molar Refractivity: 107.47 cm^3
• Polarizability: 35.684227 Å^3
• Polar Surface Area: 81.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.54
• LOG S: -2.24
• Polar Surface Area: 81.85 Å^2
• Rotatable Bonds: 4