3-anilinopiperidine-2,6-dione

C11H12N2O2 — CID 139966724

IUPAC3-anilinopiperidine-2,6-dione
SMILESO=C1CCC(Nc2ccccc2)C(=O)N1
InChIInChI=1S/C11H12N2O2/c14-10-7-6-9(11(15)13-10)12-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14,15)
InChIKeyIMJAVZDZCOZXOZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.90
Rot. Bonds2

About 3-anilinopiperidine-2,6-dione

3-anilinopiperidine-2,6-dione (PubChem CID 139966724) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-anilinopiperidine-2,6-dione.

Molecular Properties

Compound Name3-anilinopiperidine-2,6-dione
PubChem CID139966724
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-anilinopiperidine-2,6-dione
SMILESO=C1CCC(Nc2ccccc2)C(=O)N1
InChIInChI=1S/C11H12N2O2/c14-10-7-6-9(11(15)13-10)12-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14,15)
InChIKeyIMJAVZDZCOZXOZ-UHFFFAOYSA-N
XLogP0.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
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-anilinopiperidine-2,6-dione?
The IUPAC name of 3-anilinopiperidine-2,6-dione (CID 139966724) is 3-anilinopiperidine-2,6-dione.
What is the SMILES notation for 3-anilinopiperidine-2,6-dione?
The canonical SMILES for 3-anilinopiperidine-2,6-dione is O=C1CCC(Nc2ccccc2)C(=O)N1.
What is the InChIKey of 3-anilinopiperidine-2,6-dione?
The InChIKey is IMJAVZDZCOZXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-10-7-6-9(11(15)13-10)12-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14,15).
What are the key properties of 3-anilinopiperidine-2,6-dione?
3-anilinopiperidine-2,6-dione has a molecular weight of 204.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilinopiperidine-2,6-dione is sourced from PubChem (CID 139966724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).