N,N-dimethyl-2-(pyridin-3-yl)piperidine-1-carboxamide

• ChemBase ID: 216074
• Molecular Formular: C13H19N3O
• Molecular Mass: 233.30946
• Monoisotopic Mass: 233.15281224
• SMILES: N1(C(=O)N(C)C)C(c2cnccc2)CCCC1
• Canonical SMILES: O=C(N1CCCCC1c1cccnc1)N(C)C
• InChI: InChI=1S/C13H19N3O/c1-15(2)13(17)16-9-4-3-7-12(16)11-6-5-8-14-10-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3
• InChIKey: NCJUHIQDGITYSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164271984
• PubChem CID: 3696645

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.87924904
• LogD (pH = 7.4): 0.94685185
• Log P: 0.9478043
• Molar Refractivity: 66.9973 cm^3
• Polarizability: 25.771887 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds