3-(5-methyl-3-pyridinyl)piperidine-2,6-dione

C11H12N2O2 — CID 167474889

IUPAC3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
SMILESCc1cncc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C11H12N2O2/c1-7-4-8(6-12-5-7)9-2-3-10(14)13-11(9)15/h4-6,9H,2-3H2,1H3,(H,13,14,15)
InChIKeyTXABVEXZCCBCLF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.91
Rot. Bonds1

About 3-(5-methyl-3-pyridinyl)piperidine-2,6-dione

3-(5-methyl-3-pyridinyl)piperidine-2,6-dione (PubChem CID 167474889) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(5-methyl-3-pyridinyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
PubChem CID167474889
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
SMILESCc1cncc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C11H12N2O2/c1-7-4-8(6-12-5-7)9-2-3-10(14)13-11(9)15/h4-6,9H,2-3H2,1H3,(H,13,14,15)
InChIKeyTXABVEXZCCBCLF-UHFFFAOYSA-N
XLogP0.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-pyridinyl)piperidine-2,6-dione?
The IUPAC name of 3-(5-methyl-3-pyridinyl)piperidine-2,6-dione (CID 167474889) is 3-(5-methyl-3-pyridinyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-methyl-3-pyridinyl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-methyl-3-pyridinyl)piperidine-2,6-dione is Cc1cncc(C2CCC(=O)NC2=O)c1.
What is the InChIKey of 3-(5-methyl-3-pyridinyl)piperidine-2,6-dione?
The InChIKey is TXABVEXZCCBCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-4-8(6-12-5-7)9-2-3-10(14)13-11(9)15/h4-6,9H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 3-(5-methyl-3-pyridinyl)piperidine-2,6-dione?
3-(5-methyl-3-pyridinyl)piperidine-2,6-dione has a molecular weight of 204.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-pyridinyl)piperidine-2,6-dione is sourced from PubChem (CID 167474889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).