3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione

C14H13BrN2O2 — CID 167470600

IUPAC3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione
SMILESCc1cc2cc(Br)ccc2n1C1CCC(=O)NC1=O
InChIInChI=1S/C14H13BrN2O2/c1-8-6-9-7-10(15)2-3-11(9)17(8)12-4-5-13(18)16-14(12)19/h2-3,6-7,12H,4-5H2,1H3,(H,16,18,19)
InChIKeyWVWXQGHESOVVQC-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.69
Rot. Bonds1

About 3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione

3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione (PubChem CID 167470600) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione
PubChem CID167470600
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione
SMILESCc1cc2cc(Br)ccc2n1C1CCC(=O)NC1=O
InChIInChI=1S/C14H13BrN2O2/c1-8-6-9-7-10(15)2-3-11(9)17(8)12-4-5-13(18)16-14(12)19/h2-3,6-7,12H,4-5H2,1H3,(H,16,18,19)
InChIKeyWVWXQGHESOVVQC-UHFFFAOYSA-N
XLogP2.69
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
3-(5-bromoisoindol-2-yl)piperidine-2,6-dione
CID 91547260
3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 171641750
3-(7-bromo-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 138695883
3-(6-ethyl-7-fluoro-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 176558678
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138496531
3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 156836715
3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 152965133
3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione
CID 66080420
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione (CID 167470600) is 3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione is Cc1cc2cc(Br)ccc2n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione?
The InChIKey is WVWXQGHESOVVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-6-9-7-10(15)2-3-11(9)17(8)12-4-5-13(18)16-14(12)19/h2-3,6-7,12H,4-5H2,1H3,(H,16,18,19).
What are the key properties of 3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione?
3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione has a molecular weight of 321.17 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 167470600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).