N-[2-({4-[(2-methylpyridin-3-yl)oxy]piperidin-4-yl}formamido)ethyl]acetamide

• ChemBase ID: 495574
• Molecular Formular: C16H24N4O3
• Molecular Mass: 320.38676
• Monoisotopic Mass: 320.18484065
• SMILES: C1(C(=O)NCCNC(=O)C)(Oc2c(nccc2)C)CCNCC1
• Canonical SMILES: O=C(C1(CCNCC1)Oc1cccnc1C)NCCNC(=O)C
• InChI: InChI=1S/C16H24N4O3/c1-12-14(4-3-7-18-12)23-16(5-8-17-9-6-16)15(22)20-11-10-19-13(2)21/h3-4,7,17H,5-6,8-11H2,1-2H3,(H,19,21)(H,20,22)
• InChIKey: DDSQNOZDENHYMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-({4-[(2-methylpyridin-3-yl)oxy]piperidin-4-yl}formamido)ethyl]acetamide
• IUPAC Traditional name: N-[2-({4-[(2-methylpyridin-3-yl)oxy]piperidin-4-yl}formamido)ethyl]acetamide
• Synonyms: N-[2-(acetylamino)ethyl]-4-[(2-methylpyridin-3-yl)oxy]piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.746043
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -5.0168796
• LogD (pH = 7.4): -3.6655958
• Log P: -1.4822428
• Molar Refractivity: 85.3491 cm^3
• Polarizability: 33.531418 Å^3
• Polar Surface Area: 92.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.53
• LOG S: -2.4
• Polar Surface Area: 92.35 Å^2
• Rotatable Bonds: 6