1-(3,3-diphenylpiperidin-1-yl)-3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propan-1-one

• ChemBase ID: 510011
• Molecular Formular: C22H25N5O
• Molecular Mass: 375.4668
• Monoisotopic Mass: 375.20591045
• SMILES: n1nn(c(n1)C)CCC(=O)N1CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)(c1ccccc1)c1ccccc1)CCn1nnnc1C
• InChI: InChI=1S/C22H25N5O/c1-18-23-24-25-27(18)16-13-21(28)26-15-8-14-22(17-26,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12H,8,13-17H2,1H3
• InChIKey: VCYNGQQZVQIQLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,3-diphenylpiperidin-1-yl)-3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propan-1-one
• IUPAC Traditional name: 1-(3,3-diphenylpiperidin-1-yl)-3-(5-methyl-1,2,3,4-tetrazol-1-yl)propan-1-one
• Synonyms: 1-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]-3,3-diphenylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6921291
• LogD (pH = 7.4): 2.6921299
• Log P: 2.6921299
• Molar Refractivity: 132.071 cm^3
• Polarizability: 41.54977 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.99
• LOG S: -4.36
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5