4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione

C13H11N3O4 — CID 102712522

IUPAC4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccc3c(c2)CC(=O)N3)CC(=O)N1
InChIInChI=1S/C13H11N3O4/c17-10-4-8-3-7(1-2-9(8)14-10)13(20)16-5-11(18)15-12(19)6-16/h1-3H,4-6H2,(H,14,17)(H,15,18,19)
InChIKeyHAQNSTGVCFGXOT-UHFFFAOYSA-N
MW273.25 g/mol
LogP-0.72
Rot. Bonds1

About 4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione

4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione (PubChem CID 102712522) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
PubChem CID102712522
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccc3c(c2)CC(=O)N3)CC(=O)N1
InChIInChI=1S/C13H11N3O4/c17-10-4-8-3-7(1-2-9(8)14-10)13(20)16-5-11(18)15-12(19)6-16/h1-3H,4-6H2,(H,14,17)(H,15,18,19)
InChIKeyHAQNSTGVCFGXOT-UHFFFAOYSA-N
XLogP-0.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2,6-dione
CID 102712523
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
CID 113356774
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712524
4-(2,3-dihydro-1H-isoindole-5-carbonyl)piperazine-2,6-dione
CID 103999097
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711671
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103575914
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103725306
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103878855
5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110814055

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione (CID 102712522) is 4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione is O=C1CN(C(=O)c2ccc3c(c2)CC(=O)N3)CC(=O)N1.
What is the InChIKey of 4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione?
The InChIKey is HAQNSTGVCFGXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-10-4-8-3-7(1-2-9(8)14-10)13(20)16-5-11(18)15-12(19)6-16/h1-3H,4-6H2,(H,14,17)(H,15,18,19).
What are the key properties of 4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione?
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione has a molecular weight of 273.25 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 102712522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).