N-(5-amino-2-methoxyphenyl)-2-(piperidin-1-yl)acetamide

• ChemBase ID: 14615
• Molecular Formular: C14H21N3O2
• Molecular Mass: 263.33544
• Monoisotopic Mass: 263.16337693
• SMILES: c1(c(ccc(c1)N)OC)NC(=O)CN1CCCCC1
• Canonical SMILES: COc1ccc(cc1NC(=O)CN1CCCCC1)N
• InChI: InChI=1S/C14H21N3O2/c1-19-13-6-5-11(15)9-12(13)16-14(18)10-17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,16,18)
• InChIKey: BXLWOFOHAHJOLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)-2-(piperidin-1-yl)acetamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)-2-(piperidin-1-yl)acetamide
• Synonyms: N-(5-Amino-2-methoxy-phenyl)-2-piperidin-1-yl-acetamide

Database IDs

• CAS Number: 436090-50-5
• MDL Number: MFCD03280104
• PubChem SID: 160977922
• PubChem CID: 858402

CALCULATED PROPERTIES

• Acid pKa: 11.949789
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.592479
• LogD (pH = 7.4): 0.81665766
• Log P: 0.9662236
• Molar Refractivity: 77.6556 cm^3
• Polarizability: 28.87209 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false