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

C14H13N3O4 — CID 102712524

IUPAC3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H13N3O4/c1-7-13(20)16-12(19)6-17(7)14(21)8-2-3-10-9(4-8)5-11(18)15-10/h2-4,7H,5-6H2,1H3,(H,15,18)(H,16,19,20)
InChIKeyDYQNYJLJKQWOFY-UHFFFAOYSA-N
MW287.27 g/mol
LogP-0.33
Rot. Bonds1

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

3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione (PubChem CID 102712524) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
PubChem CID102712524
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H13N3O4/c1-7-13(20)16-12(19)6-17(7)14(21)8-2-3-10-9(4-8)5-11(18)15-10/h2-4,7H,5-6H2,1H3,(H,15,18)(H,16,19,20)
InChIKeyDYQNYJLJKQWOFY-UHFFFAOYSA-N
XLogP-0.33
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 ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione with MolForge

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Related Compounds

4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873
4-(3-amino-4-chlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062454
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061337
3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775453
4-(3-bromobenzoyl)-3-methylpiperazine-2,6-dione
CID 66061547
4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66062314
4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66076244
4-[4-(aminomethyl)benzoyl]-3-methylpiperazine-2,6-dione
CID 66063044
3-(2-methyl-3,5-dioxopiperazine-1-carbonyl)benzenecarbothioamide
CID 66075045
(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 96669399
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103575914

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione (CID 102712524) is 3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione?
The InChIKey is DYQNYJLJKQWOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-7-13(20)16-12(19)6-17(7)14(21)8-2-3-10-9(4-8)5-11(18)15-10/h2-4,7H,5-6H2,1H3,(H,15,18)(H,16,19,20).
What are the key properties of 3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione?
3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione has a molecular weight of 287.27 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 102712524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).