N-methyl-4-[(5-methyl-1H-1,2,3,4-tetrazol-1-yl)methyl]-N-(piperidin-4-yl)benzamide

• ChemBase ID: 682357
• Molecular Formular: C16H22N6O
• Molecular Mass: 314.38548
• Monoisotopic Mass: 314.18550935
• SMILES: n1(nnnc1C)Cc1ccc(C(=O)N(C2CCNCC2)C)cc1
• Canonical SMILES: CN(C(=O)c1ccc(cc1)Cn1nnnc1C)C1CCNCC1
• InChI: InChI=1S/C16H22N6O/c1-12-18-19-20-22(12)11-13-3-5-14(6-4-13)16(23)21(2)15-7-9-17-10-8-15/h3-6,15,17H,7-11H2,1-2H3
• InChIKey: CDRZMPJNIGLEBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-[(5-methyl-1H-1,2,3,4-tetrazol-1-yl)methyl]-N-(piperidin-4-yl)benzamide
• IUPAC Traditional name: N-methyl-4-[(5-methyl-1,2,3,4-tetrazol-1-yl)methyl]-N-(piperidin-4-yl)benzamide
• Synonyms: N-methyl-4-[(5-methyl-1H-tetrazol-1-yl)methyl]-N-piperidin-4-ylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.0781653
• LogD (pH = 7.4): -2.3932683
• Log P: 0.14200017
• Molar Refractivity: 101.6161 cm^3
• Polarizability: 33.200397 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.67
• LOG S: -2.23
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 4