6-(3-bromophenyl)piperidine-2,4-dione

C11H10BrNO2 — CID 83825931

IUPAC6-(3-bromophenyl)piperidine-2,4-dione
SMILESO=C1CC(=O)NC(c2cccc(Br)c2)C1
InChIInChI=1S/C11H10BrNO2/c12-8-3-1-2-7(4-8)10-5-9(14)6-11(15)13-10/h1-4,10H,5-6H2,(H,13,15)
InChIKeyFVXVYTIWHFTHHJ-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.97
Rot. Bonds1

About 6-(3-bromophenyl)piperidine-2,4-dione

6-(3-bromophenyl)piperidine-2,4-dione (PubChem CID 83825931) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 6-(3-bromophenyl)piperidine-2,4-dione.

Molecular Properties

Compound Name6-(3-bromophenyl)piperidine-2,4-dione
PubChem CID83825931
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name6-(3-bromophenyl)piperidine-2,4-dione
SMILESO=C1CC(=O)NC(c2cccc(Br)c2)C1
InChIInChI=1S/C11H10BrNO2/c12-8-3-1-2-7(4-8)10-5-9(14)6-11(15)13-10/h1-4,10H,5-6H2,(H,13,15)
InChIKeyFVXVYTIWHFTHHJ-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-7,8-dimethyl-1,2,3,5-tetrahydro-1-benzazepin-4-one
CID 161001932
6-(3-methoxyphenyl)piperidine-2,4-dione
CID 83822055
6-(3,5-dimethylphenyl)piperidine-2,4-dione
CID 83821744
6-(4-hydroxyphenyl)piperidine-2,4-dione
CID 83819813
(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline
CID 53375541
2-(3-bromophenyl)imidazolidine
CID 57237390
2-(3-bromophenyl)-4-methylazetidine
CID 116822056
(2R)-2-(3-bromophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 6923688
3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione
CID 79431517
2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 69070989
(1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101479998
5-(3-bromophenyl)pyrazolidine-3-carboxylic acid
CID 53404881

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)piperidine-2,4-dione?
The IUPAC name of 6-(3-bromophenyl)piperidine-2,4-dione (CID 83825931) is 6-(3-bromophenyl)piperidine-2,4-dione.
What is the SMILES notation for 6-(3-bromophenyl)piperidine-2,4-dione?
The canonical SMILES for 6-(3-bromophenyl)piperidine-2,4-dione is O=C1CC(=O)NC(c2cccc(Br)c2)C1.
What is the InChIKey of 6-(3-bromophenyl)piperidine-2,4-dione?
The InChIKey is FVXVYTIWHFTHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c12-8-3-1-2-7(4-8)10-5-9(14)6-11(15)13-10/h1-4,10H,5-6H2,(H,13,15).
What are the key properties of 6-(3-bromophenyl)piperidine-2,4-dione?
6-(3-bromophenyl)piperidine-2,4-dione has a molecular weight of 268.11 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)piperidine-2,4-dione is sourced from PubChem (CID 83825931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).