4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione

C16H17BrClNO2 — CID 115926972

IUPAC4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione
SMILESO=C1CC(c2ccc(Cl)c(Br)c2)C(C2CCCC2)C(=O)N1
InChIInChI=1S/C16H17BrClNO2/c17-12-7-10(5-6-13(12)18)11-8-14(20)19-16(21)15(11)9-3-1-2-4-9/h5-7,9,11,15H,1-4,8H2,(H,19,20,21)
InChIKeyGLWHWUVTLWINEP-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.04
Rot. Bonds2

About 4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione

4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione (PubChem CID 115926972) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione
PubChem CID115926972
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione
SMILESO=C1CC(c2ccc(Cl)c(Br)c2)C(C2CCCC2)C(=O)N1
InChIInChI=1S/C16H17BrClNO2/c17-12-7-10(5-6-13(12)18)11-8-14(20)19-16(21)15(11)9-3-1-2-4-9/h5-7,9,11,15H,1-4,8H2,(H,19,20,21)
InChIKeyGLWHWUVTLWINEP-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-4-(4-fluorophenyl)piperidine-2,6-dione
CID 115926974
3-cyclopentyl-4-(4-methylphenyl)piperidine-2,6-dione
CID 115927013
4-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpiperidine-2,6-dione
CID 102845446
3-cyclopentylpyrrolidine-2,5-dione
CID 14918416
3-cyclohexylpyrrolidine-2,5-dione
CID 12931268
4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320854
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
3-cyclopentyl-4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
CID 115926987
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
trans-(1R,2R)-2-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 154832180
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183833

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione?
The IUPAC name of 4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione (CID 115926972) is 4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione.
What is the SMILES notation for 4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione?
The canonical SMILES for 4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione is O=C1CC(c2ccc(Cl)c(Br)c2)C(C2CCCC2)C(=O)N1.
What is the InChIKey of 4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione?
The InChIKey is GLWHWUVTLWINEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c17-12-7-10(5-6-13(12)18)11-8-14(20)19-16(21)15(11)9-3-1-2-4-9/h5-7,9,11,15H,1-4,8H2,(H,19,20,21).
What are the key properties of 4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione?
4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione has a molecular weight of 370.67 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-chlorophenyl)-3-cyclopentylpiperidine-2,6-dione is sourced from PubChem (CID 115926972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).