N-(1-benzyl-6-methyl-1,2,5,6-tetrahydropyridin-3-yl)benzamide

• ChemBase ID: 248558
• Molecular Formular: C20H22N2O
• Molecular Mass: 306.40148
• Monoisotopic Mass: 306.17321333
• SMILES: N1(CC(=CCC1C)NC(=O)c1ccccc1)Cc1ccccc1
• Canonical SMILES: CC1CC=C(CN1Cc1ccccc1)NC(=O)c1ccccc1
• InChI: InChI=1S/C20H22N2O/c1-16-12-13-19(21-20(23)18-10-6-3-7-11-18)15-22(16)14-17-8-4-2-5-9-17/h2-11,13,16H,12,14-15H2,1H3,(H,21,23)
• InChIKey: RMTCVLGVWGLHPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzyl-6-methyl-1,2,5,6-tetrahydropyridin-3-yl)benzamide
• IUPAC Traditional name: N-(1-benzyl-6-methyl-5,6-dihydro-2H-pyridin-3-yl)benzamide
• Synonyms: N-(1-benzyl-6-methyl-1,2,5,6-tetrahydropyridin-3-yl)benzamide

Database IDs

• PubChem SID: 164304468
• PubChem CID: 71758520

CALCULATED PROPERTIES

• Acid pKa: 13.621445
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1605052
• LogD (pH = 7.4): 2.8654563
• Log P: 3.3405628
• Molar Refractivity: 95.7882 cm^3
• Polarizability: 36.23641 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.076

Product Information

• Purity: 95%