3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione

C16H14N2O3 — CID 167016294

IUPAC3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(C2C(=O)N3CC=Cc4cccc2c43)C(=O)N1
InChIInChI=1S/C16H14N2O3/c19-12-7-6-11(15(20)17-12)13-10-5-1-3-9-4-2-8-18(14(9)10)16(13)21/h1-5,11,13H,6-8H2,(H,17,19,20)
InChIKeyMADCOCAXMJRIKU-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.20
Rot. Bonds1

About 3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione

3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione (PubChem CID 167016294) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione
PubChem CID167016294
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(C2C(=O)N3CC=Cc4cccc2c43)C(=O)N1
InChIInChI=1S/C16H14N2O3/c19-12-7-6-11(15(20)17-12)13-10-5-1-3-9-4-2-8-18(14(9)10)16(13)21/h1-5,11,13H,6-8H2,(H,17,19,20)
InChIKeyMADCOCAXMJRIKU-UHFFFAOYSA-N
XLogP1.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methyl-1,3-dioxoinden-2-yl)piperidine-2,6-dione
CID 166872046
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243
4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146547456
3-(1,3-dioxo-4H-naphthalen-2-yl)piperidine-2,6-dione;ethane
CID 144947853
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
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
3-(4-ethyl-9-hydroxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)piperidine-2,6-dione
CID 178063132
3-[1,3-dioxo-4-(piperidin-4-ylmethylamino)inden-2-yl]piperidine-2,6-dione
CID 166982721
3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156528333
3-(4-hydroxy-1-sulfanyl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 176674099
3-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-dioxoinden-2-yl]piperidine-2,6-dione
CID 172516805

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione (CID 167016294) is 3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione is O=C1CCC(C2C(=O)N3CC=Cc4cccc2c43)C(=O)N1.
What is the InChIKey of 3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione?
The InChIKey is MADCOCAXMJRIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-12-7-6-11(15(20)17-12)13-10-5-1-3-9-4-2-8-18(14(9)10)16(13)21/h1-5,11,13H,6-8H2,(H,17,19,20).
What are the key properties of 3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione?
3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione has a molecular weight of 282.30 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 167016294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).