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

• ChemBase ID: 190004
• Molecular Formular: C13H19N3O
• Molecular Mass: 233.30946
• Monoisotopic Mass: 233.15281224
• SMILES: N1(C(c2cnccc2)CCCC1)CCC(=O)N
• Canonical SMILES: NC(=O)CCN1CCCCC1c1cccnc1
• InChI: InChI=1S/C13H19N3O/c14-13(17)6-9-16-8-2-1-5-12(16)11-4-3-7-15-10-11/h3-4,7,10,12H,1-2,5-6,8-9H2,(H2,14,17)
• InChIKey: NRMHXNXTBHZFPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164245914
• PubChem CID: 3798997

CALCULATED PROPERTIES

• Acid pKa: 16.214996
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6471708
• LogD (pH = 7.4): -1.0204928
• Log P: 0.5151568
• Molar Refractivity: 66.8622 cm^3
• Polarizability: 26.162363 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds