4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C14H13N3O4 — CID 130431899

IUPAC4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1CCC(N2CC(=O)Nc3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C14H13N3O4/c18-11-6-5-10(13(20)16-11)17-7-12(19)15-9-4-2-1-3-8(9)14(17)21/h1-4,10H,5-7H2,(H,15,19)(H,16,18,20)
InChIKeyIPESMTZIQSVMAO-UHFFFAOYSA-N
MW287.27 g/mol
LogP-0.11
Rot. Bonds1

About 4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione

4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 130431899) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID130431899
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESO=C1CCC(N2CC(=O)Nc3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C14H13N3O4/c18-11-6-5-10(13(20)16-11)17-7-12(19)15-9-4-2-1-3-8(9)14(17)21/h1-4,10H,5-7H2,(H,15,19)(H,16,18,20)
InChIKeyIPESMTZIQSVMAO-UHFFFAOYSA-N
XLogP-0.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione with MolForge

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Related Compounds

methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
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
tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)
CID 163449958
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
CID 170628916
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146601936

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 130431899) is 4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione is O=C1CCC(N2CC(=O)Nc3ccccc3C2=O)C(=O)N1.
What is the InChIKey of 4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is IPESMTZIQSVMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-11-6-5-10(13(20)16-11)17-7-12(19)15-9-4-2-1-3-8(9)14(17)21/h1-4,10H,5-7H2,(H,15,19)(H,16,18,20).
What are the key properties of 4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 287.27 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 130431899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).