3-(2-phenylethyl)-1-{[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carbonyl}piperidine

• ChemBase ID: 639632
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: c12n(nnn1)ccc(C(=O)N1CC(CCc3ccccc3)CCC1)c2
• Canonical SMILES: O=C(c1ccn2c(c1)nnn2)N1CCCC(C1)CCc1ccccc1
• InChI: InChI=1S/C19H21N5O/c25-19(17-10-12-24-18(13-17)20-21-22-24)23-11-4-7-16(14-23)9-8-15-5-2-1-3-6-15/h1-3,5-6,10,12-13,16H,4,7-9,11,14H2
• InChIKey: HOUZWMPOBYNNQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3392053
• LogD (pH = 7.4): 3.3392053
• Log P: 3.3392053
• Molar Refractivity: 108.9332 cm^3
• Polarizability: 36.049652 Å^3
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.0
• LOG S: -3.35
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 4