N-(2-{1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperidin-2-yl}ethyl)acetamide

• ChemBase ID: 460226
• Molecular Formular: C18H29N3O2
• Molecular Mass: 319.44176
• Monoisotopic Mass: 319.22597718
• SMILES: c1(c(ncc(c1OC)C)CN1C(CCNC(=O)C)CCCC1)C
• Canonical SMILES: COc1c(C)cnc(c1C)CN1CCCCC1CCNC(=O)C
• InChI: InChI=1S/C18H29N3O2/c1-13-11-20-17(14(2)18(13)23-4)12-21-10-6-5-7-16(21)8-9-19-15(3)22/h11,16H,5-10,12H2,1-4H3,(H,19,22)
• InChIKey: JESQOPZJYBWVMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperidin-2-yl}ethyl)acetamide
• IUPAC Traditional name: N-(2-{1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperidin-2-yl}ethyl)acetamide
• Synonyms: N-(2-{1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-piperidinyl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.502683
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.44101146
• LogD (pH = 7.4): 1.1567518
• Log P: 1.6395693
• Molar Refractivity: 92.5384 cm^3
• Polarizability: 35.89477 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.44
• LOG S: -2.76
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6