5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione

C13H12ClN3O3 — CID 79335956

IUPAC5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione
SMILESCC1C(=O)NCCN1c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C13H12ClN3O3/c1-6-12(19)15-2-3-17(6)10-5-9-7(4-8(10)14)11(18)13(20)16-9/h4-6H,2-3H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyWZYBGHOUNYESEF-UHFFFAOYSA-N
MW293.71 g/mol
LogP0.80
Rot. Bonds1

About 5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione

5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione (PubChem CID 79335956) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione
PubChem CID79335956
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione
SMILESCC1C(=O)NCCN1c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C13H12ClN3O3/c1-6-12(19)15-2-3-17(6)10-5-9-7(4-8(10)14)11(18)13(20)16-9/h4-6H,2-3H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyWZYBGHOUNYESEF-UHFFFAOYSA-N
XLogP0.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione with MolForge

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Related Compounds

5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione
CID 79336164
5-chloro-6-(3-oxopiperazin-1-yl)-1H-indole-2,3-dione
CID 79336846
5-chloro-6-(2-ethylpiperidin-1-yl)-1H-indole-2,3-dione
CID 79336366
5-chloro-6-(2-propan-2-ylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 79336233
5-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
CID 104958978
5-chloro-6-(4,4-dimethylazepan-1-yl)-1H-indole-2,3-dione
CID 79342974
5-chloro-6-[3-(dimethylamino)piperidin-1-yl]-1H-indole-2,3-dione
CID 79342976
5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
CID 55216307
4-chloro-2-(2-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 114845046
2-chloro-4-(2-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 114064213
5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione
CID 79343448
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 79336319

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione (CID 79335956) is 5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione is CC1C(=O)NCCN1c1cc2c(cc1Cl)C(=O)C(=O)N2.
What is the InChIKey of 5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione?
The InChIKey is WZYBGHOUNYESEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-6-12(19)15-2-3-17(6)10-5-9-7(4-8(10)14)11(18)13(20)16-9/h4-6H,2-3H2,1H3,(H,15,19)(H,16,18,20).
What are the key properties of 5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione?
5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione has a molecular weight of 293.71 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-methyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 79335956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).