N-(2-methoxyethyl)-3-(piperidin-3-yl)-N-(pyridin-4-ylmethyl)benzamide

• ChemBase ID: 710544
• Molecular Formular: C21H27N3O2
• Molecular Mass: 353.45798
• Monoisotopic Mass: 353.21032712
• SMILES: C(=O)(N(Cc1ccncc1)CCOC)c1cc(C2CNCCC2)ccc1
• Canonical SMILES: COCCN(C(=O)c1cccc(c1)C1CCCNC1)Cc1ccncc1
• InChI: InChI=1S/C21H27N3O2/c1-26-13-12-24(16-17-7-10-22-11-8-17)21(25)19-5-2-4-18(14-19)20-6-3-9-23-15-20/h2,4-5,7-8,10-11,14,20,23H,3,6,9,12-13,15-16H2,1H3
• InChIKey: VZKZRHIURUYMCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-(piperidin-3-yl)-N-(pyridin-4-ylmethyl)benzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-(piperidin-3-yl)-N-(pyridin-4-ylmethyl)benzamide
• Synonyms: N-(2-methoxyethyl)-3-piperidin-3-yl-N-(pyridin-4-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4115605
• LogD (pH = 7.4): -0.5599523
• Log P: 1.914082
• Molar Refractivity: 103.773 cm^3
• Polarizability: 39.83678 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.07
• LOG S: -1.39
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7