3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione

C15H13NO4 — CID 166872046

IUPAC3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione
SMILESCc1cccc2c1C(=O)C(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H13NO4/c1-7-3-2-4-8-11(7)14(19)12(13(8)18)9-5-6-10(17)16-15(9)20/h2-4,9,12H,5-6H2,1H3,(H,16,17,20)
InChIKeyULOZLAQHUAYWKU-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.04
Rot. Bonds1

About 3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione

3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione (PubChem CID 166872046) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione
PubChem CID166872046
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione
SMILESCc1cccc2c1C(=O)C(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H13NO4/c1-7-3-2-4-8-11(7)14(19)12(13(8)18)9-5-6-10(17)16-15(9)20/h2-4,9,12H,5-6H2,1H3,(H,16,17,20)
InChIKeyULOZLAQHUAYWKU-UHFFFAOYSA-N
XLogP1.04
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxocyclohexyl)-4-methylindene-1,3-dione
CID 176626118
3-[(1-methyl-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-6-yl)methyl]piperidine-2,6-dione
CID 170008593
3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane
CID 144947853
3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione
CID 166982721
3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione
CID 172516805
3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione
CID 155194213
3-[(3E)-3-ethylidene-4-methyl-1-oxoisoindol-2-yl]piperidine-2,6-dione
CID 177344144
3-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
CID 121222541
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione
CID 138467250
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
3-(5-methyl-4-methylidene-2-oxo-1H-quinazolin-3-yl)piperidine-2,6-dione
CID 129173983

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione (CID 166872046) is 3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione is Cc1cccc2c1C(=O)C(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione?
The InChIKey is ULOZLAQHUAYWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-7-3-2-4-8-11(7)14(19)12(13(8)18)9-5-6-10(17)16-15(9)20/h2-4,9,12H,5-6H2,1H3,(H,16,17,20).
What are the key properties of 3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione?
3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione has a molecular weight of 271.27 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 166872046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).