N-(3-aminophenyl)-2-(piperidin-1-yl)acetamide

• ChemBase ID: 123800
• Molecular Formular: C13H19N3O
• Molecular Mass: 233.30946
• Monoisotopic Mass: 233.15281224
• SMILES: C(=O)(Nc1cc(N)ccc1)CN1CCCCC1
• Canonical SMILES: O=C(Nc1cccc(c1)N)CN1CCCCC1
• InChI: InChI=1S/C13H19N3O/c14-11-5-4-6-12(9-11)15-13(17)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10,14H2,(H,15,17)
• InChIKey: LZZJIZZHAWBPFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminophenyl)-2-(piperidin-1-yl)acetamide
• IUPAC Traditional name: N-(3-aminophenyl)-2-(piperidin-1-yl)acetamide
• Synonyms: N-(3-aminophenyl)-2-(piperidin-1-yl)acetamide

Database IDs

• PubChem SID: 162218153
• PubChem CID: 3134209

CALCULATED PROPERTIES

• Polarizability: 26.353218 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.437114
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7841036
• LogD (pH = 7.4): 0.81958437
• Log P: 1.1238948
• Molar Refractivity: 71.1924 cm^3