N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylbenzamide

• ChemBase ID: 517141
• Molecular Formular: C21H26N2O
• Molecular Mass: 322.44394
• Monoisotopic Mass: 322.20451346
• SMILES: C(=O)(c1c(c2ccccc2)cccc1)N(CC1CN(CCC1)C)C
• Canonical SMILES: CN1CCCC(C1)CN(C(=O)c1ccccc1c1ccccc1)C
• InChI: InChI=1S/C21H26N2O/c1-22-14-8-9-17(15-22)16-23(2)21(24)20-13-7-6-12-19(20)18-10-4-3-5-11-18/h3-7,10-13,17H,8-9,14-16H2,1-2H3
• InChIKey: MQDMFVFAOQUSSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylbenzamide
• IUPAC Traditional name: N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylbenzamide
• Synonyms: N-methyl-N-[(1-methylpiperidin-3-yl)methyl]biphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3041026
• LogD (pH = 7.4): 1.9443226
• Log P: 3.4474273
• Molar Refractivity: 100.2363 cm^3
• Polarizability: 39.727985 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.72
• LOG S: -3.87
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4