N-(4-methoxyphenyl)-2-(pyridin-3-yl)piperidine-1-carboxamide

• ChemBase ID: 188849
• Molecular Formular: C18H21N3O2
• Molecular Mass: 311.37824
• Monoisotopic Mass: 311.16337693
• SMILES: C(=O)(N1C(c2cnccc2)CCCC1)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)N1CCCCC1c1cccnc1
• InChI: InChI=1S/C18H21N3O2/c1-23-16-9-7-15(8-10-16)20-18(22)21-12-3-2-6-17(21)14-5-4-11-19-13-14/h4-5,7-11,13,17H,2-3,6,12H2,1H3,(H,20,22)
• InChIKey: ZTRMVJPPXCQOEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-2-(pyridin-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(4-methoxyphenyl)-2-(pyridin-3-yl)piperidine-1-carboxamide

Database IDs

• PubChem SID: 164244759
• PubChem CID: 2893617

CALCULATED PROPERTIES

• Acid pKa: 13.980193
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5154703
• LogD (pH = 7.4): 2.583073
• Log P: 2.5840254
• Molar Refractivity: 90.1222 cm^3
• Polarizability: 34.187458 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds