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

• ChemBase ID: 722165
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: C(=O)(N(Cc1c2c(ncc1)cccc2)C)c1cc(C2CNCCC2)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)C1CCCNC1)Cc1ccnc2c1cccc2
• InChI: InChI=1S/C23H25N3O/c1-26(16-20-11-13-25-22-10-3-2-9-21(20)22)23(27)18-7-4-6-17(14-18)19-8-5-12-24-15-19/h2-4,6-7,9-11,13-14,19,24H,5,8,12,15-16H2,1H3
• InChIKey: PGILOSLJRJSNRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.0887208
• LogD (pH = 7.4): 0.86326236
• Log P: 3.3363848
• Molar Refractivity: 108.8077 cm^3
• Polarizability: 43.03878 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