N-methyl-4-(piperidin-3-ylmethyl)-N-(quinolin-5-ylmethyl)benzamide

• ChemBase ID: 414524
• Molecular Formular: C24H27N3O
• Molecular Mass: 373.49068
• Monoisotopic Mass: 373.2154125
• SMILES: C(=O)(N(Cc1c2c(nccc2)ccc1)C)c1ccc(CC2CNCCC2)cc1
• Canonical SMILES: CN(C(=O)c1ccc(cc1)CC1CCCNC1)Cc1cccc2c1cccn2
• InChI: InChI=1S/C24H27N3O/c1-27(17-21-6-2-8-23-22(21)7-4-14-26-23)24(28)20-11-9-18(10-12-20)15-19-5-3-13-25-16-19/h2,4,6-12,14,19,25H,3,5,13,15-17H2,1H3
• InChIKey: XBFWDVGRSKTSHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-(piperidin-3-ylmethyl)-N-(quinolin-5-ylmethyl)benzamide
• IUPAC Traditional name: N-methyl-4-(piperidin-3-ylmethyl)-N-(quinolin-5-ylmethyl)benzamide
• Synonyms: N-methyl-4-(3-piperidinylmethyl)-N-(5-quinolinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.53595614
• LogD (pH = 7.4): 1.1193296
• Log P: 3.7809534
• Molar Refractivity: 113.4087 cm^3
• Polarizability: 44.887028 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.77
• LOG S: -4.29
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5