2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione

C15H11N3O4 — CID 163258710

IUPAC2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione
SMILESO=C1CCC(N2C(=O)c3[nH]c(=O)cc4cccc2c34)C(=O)N1
InChIInChI=1S/C15H11N3O4/c19-10-5-4-9(14(21)17-10)18-8-3-1-2-7-6-11(20)16-13(12(7)8)15(18)22/h1-3,6,9H,4-5H2,(H,16,20)(H,17,19,21)
InChIKeyNHFYHFYMFWPZNL-UHFFFAOYSA-N
MW297.27 g/mol
LogP0.29
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione

2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione (PubChem CID 163258710) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione
PubChem CID163258710
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione
SMILESO=C1CCC(N2C(=O)c3[nH]c(=O)cc4cccc2c34)C(=O)N1
InChIInChI=1S/C15H11N3O4/c19-10-5-4-9(14(21)17-10)18-8-3-1-2-7-6-11(20)16-13(12(7)8)15(18)22/h1-3,6,9H,4-5H2,(H,16,20)(H,17,19,21)
InChIKeyNHFYHFYMFWPZNL-UHFFFAOYSA-N
XLogP0.29
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione with MolForge

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Related Compounds

3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 167009203
3-(2-oxo-5-sulfanylbenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 163258587
3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione
CID 167009255
3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259374
3-(10-chloro-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-2-yl)piperidine-2,6-dione
CID 163259400
3-(10-bromo-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-2-yl)piperidine-2,6-dione
CID 167009359
3-(7-iodo-3-oxo-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl)piperidine-2,6-dione
CID 163258969
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;3-(2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 167699772
3-(4-methyl-9-oxo-4,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1,6,8(15),11,13-pentaen-10-yl)piperidine-2,6-dione
CID 170415929

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione (CID 163258710) is 2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione is O=C1CCC(N2C(=O)c3[nH]c(=O)cc4cccc2c34)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione?
The InChIKey is NHFYHFYMFWPZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-10-5-4-9(14(21)17-10)18-8-3-1-2-7-6-11(20)16-13(12(7)8)15(18)22/h1-3,6,9H,4-5H2,(H,16,20)(H,17,19,21).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione?
2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione has a molecular weight of 297.27 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-2,5-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraene-3,6-dione is sourced from PubChem (CID 163258710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).