N-benzyl-3-[2-(pyridin-3-yl)piperidin-1-yl]propanamide

• ChemBase ID: 195979
• Molecular Formular: C20H25N3O
• Molecular Mass: 323.432
• Monoisotopic Mass: 323.19976244
• SMILES: N1(C(c2cnccc2)CCCC1)CCC(=O)NCc1ccccc1
• Canonical SMILES: O=C(NCc1ccccc1)CCN1CCCCC1c1cccnc1
• InChI: InChI=1S/C20H25N3O/c24-20(22-15-17-7-2-1-3-8-17)11-14-23-13-5-4-10-19(23)18-9-6-12-21-16-18/h1-3,6-9,12,16,19H,4-5,10-11,13-15H2,(H,22,24)
• InChIKey: HSOJWICESYHYSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-[2-(pyridin-3-yl)piperidin-1-yl]propanamide
• IUPAC Traditional name: N-benzyl-3-[2-(pyridin-3-yl)piperidin-1-yl]propanamide

Database IDs

• PubChem SID: 164251889
• PubChem CID: 2964838

CALCULATED PROPERTIES

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.586213
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6520926
• LogD (pH = 7.4): 1.0073037
• Log P: 2.463306
• Molar Refractivity: 96.3715 cm^3
• Polarizability: 37.61509 Å^3
• Polar Surface Area: 45.23 Å^2

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds