N-methyl-4-(piperidin-3-yl)-N-(quinolin-3-ylmethyl)benzamide

• ChemBase ID: 432269
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: C(=O)(N(Cc1cc2c(nc1)cccc2)C)c1ccc(cc1)C1CNCCC1
• Canonical SMILES: CN(C(=O)c1ccc(cc1)C1CCCNC1)Cc1cnc2c(c1)cccc2
• InChI: InChI=1S/C23H25N3O/c1-26(16-17-13-20-5-2-3-7-22(20)25-14-17)23(27)19-10-8-18(9-11-19)21-6-4-12-24-15-21/h2-3,5,7-11,13-14,21,24H,4,6,12,15-16H2,1H3
• InChIKey: JIRUGXOEKPZVCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-(piperidin-3-yl)-N-(quinolin-3-ylmethyl)benzamide
• IUPAC Traditional name: N-methyl-4-(piperidin-3-yl)-N-(quinolin-3-ylmethyl)benzamide
• Synonyms: N-methyl-4-piperidin-3-yl-N-(quinolin-3-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.098750636
• LogD (pH = 7.4): 0.83003485
• Log P: 3.3363848
• Molar Refractivity: 108.8077 cm^3
• Polarizability: 43.038383 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.41
• LOG S: -3.88
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4