4-(piperidin-4-yloxy)pyridine-2-carboxamide

• ChemBase ID: 245801
• Molecular Formular: C11H15N3O2
• Molecular Mass: 221.2557
• Monoisotopic Mass: 221.11642674
• SMILES: c1(C(=O)N)cc(OC2CCNCC2)ccn1
• Canonical SMILES: NC(=O)c1nccc(c1)OC1CCNCC1
• InChI: InChI=1S/C11H15N3O2/c12-11(15)10-7-9(3-6-14-10)16-8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H2,12,15)
• InChIKey: NMMFHPWVBDVMFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yloxy)pyridine-2-carboxamide
• IUPAC Traditional name: 4-(piperidin-4-yloxy)pyridine-2-carboxamide
• Synonyms: 4-(piperidin-4-yloxy)pyridine-2-carboxamide

Database IDs

• MDL Number: MFCD16736283
• PubChem SID: 164301711
• PubChem CID: 62344237

CALCULATED PROPERTIES

• Acid pKa: 13.689928
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.7297423
• LogD (pH = 7.4): -2.8848646
• Log P: -0.5218491
• Molar Refractivity: 59.2271 cm^3
• Polarizability: 22.967136 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 0.155

Product Information

• Purity: 95%