5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione

C14H14BrN3O3 — CID 79343448

IUPAC5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione
SMILESCC1(C)C(=O)NCCN1c1cc2c(cc1Br)C(=O)C(=O)N2
InChIInChI=1S/C14H14BrN3O3/c1-14(2)13(21)16-3-4-18(14)10-6-9-7(5-8(10)15)11(19)12(20)17-9/h5-6H,3-4H2,1-2H3,(H,16,21)(H,17,19,20)
InChIKeyGYQSVFOOWVOCCY-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.30
Rot. Bonds1

About 5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione

5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione (PubChem CID 79343448) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione
PubChem CID79343448
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione
SMILESCC1(C)C(=O)NCCN1c1cc2c(cc1Br)C(=O)C(=O)N2
InChIInChI=1S/C14H14BrN3O3/c1-14(2)13(21)16-3-4-18(14)10-6-9-7(5-8(10)15)11(19)12(20)17-9/h5-6H,3-4H2,1-2H3,(H,16,21)(H,17,19,20)
InChIKeyGYQSVFOOWVOCCY-UHFFFAOYSA-N
XLogP1.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 103356460
3-bromo-4-(2,2-dimethyl-3-oxopiperazin-1-yl)benzonitrile
CID 82797520
5-bromo-6-(4-hydroxy-4-methylazepan-1-yl)-1H-indole-2,3-dione
CID 107404952
5-bromo-6-(3-oxo-1,4-diazepan-1-yl)-1H-indole-2,3-dione
CID 79335904
5-bromo-6-(3,4-dimethylpyrrolidin-1-yl)-1H-indole-2,3-dione
CID 79336319
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-methylbenzaldehyde
CID 114054221
5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione
CID 106836223
4-(2-acetyl-5-bromophenyl)-3,3-dimethylpiperazin-2-one
CID 82966740
5-bromo-6-(4-ethylazepan-1-yl)-1H-indole-2,3-dione
CID 79343459
4-(4-bromo-2-nitrophenyl)-3,3-dimethylpiperazin-2-one
CID 63600740
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-methylbenzoic acid
CID 63605930
5-bromo-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1H-indole-2,3-dione
CID 81452606

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione (CID 79343448) is 5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione is CC1(C)C(=O)NCCN1c1cc2c(cc1Br)C(=O)C(=O)N2.
What is the InChIKey of 5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione?
The InChIKey is GYQSVFOOWVOCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-14(2)13(21)16-3-4-18(14)10-6-9-7(5-8(10)15)11(19)12(20)17-9/h5-6H,3-4H2,1-2H3,(H,16,21)(H,17,19,20).
What are the key properties of 5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione?
5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione has a molecular weight of 352.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2,2-dimethyl-3-oxopiperazin-1-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 79343448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).