ethyl 2-(1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidin-2-yl)acetate

• ChemBase ID: 387302
• Molecular Formular: C15H19N5O3
• Molecular Mass: 317.34306
• Monoisotopic Mass: 317.14878949
• SMILES: c12n(nnn1)ccc(C(=O)N1C(CC(=O)OCC)CCCC1)c2
• Canonical SMILES: CCOC(=O)CC1CCCCN1C(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C15H19N5O3/c1-2-23-14(21)10-12-5-3-4-7-19(12)15(22)11-6-8-20-13(9-11)16-17-18-20/h6,8-9,12H,2-5,7,10H2,1H3
• InChIKey: FEMRYAGBEBTUKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidin-2-yl)acetate
• Synonyms: ethyl [1-(tetrazolo[1,5-a]pyridin-7-ylcarbonyl)-2-piperidinyl]acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2287562
• LogD (pH = 7.4): 1.2287563
• Log P: 1.2287563
• Molar Refractivity: 95.1365 cm^3
• Polarizability: 31.07649 Å^3
• Polar Surface Area: 89.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.08
• LOG S: -2.76
• Polar Surface Area: 89.69 Å^2
• Rotatable Bonds: 5