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

C16H18BrNO2 — CID 79431517

IUPAC3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione
SMILESO=C1CC(C2CCCC2)C(c2cccc(Br)c2)C(=O)N1
InChIInChI=1S/C16H18BrNO2/c17-12-7-3-6-11(8-12)15-13(10-4-1-2-5-10)9-14(19)18-16(15)20/h3,6-8,10,13,15H,1-2,4-5,9H2,(H,18,19,20)
InChIKeyIXULYMQQVIEKMJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.39
Rot. Bonds2

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

3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione (PubChem CID 79431517) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione
PubChem CID79431517
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione
SMILESO=C1CC(C2CCCC2)C(c2cccc(Br)c2)C(=O)N1
InChIInChI=1S/C16H18BrNO2/c17-12-7-3-6-11(8-12)15-13(10-4-1-2-5-10)9-14(19)18-16(15)20/h3,6-8,10,13,15H,1-2,4-5,9H2,(H,18,19,20)
InChIKeyIXULYMQQVIEKMJ-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione
CID 79433280
3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione
CID 79432736
4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione
CID 79424502
3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione
CID 79429874
6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one
CID 83853500
(2R)-2-(3-bromophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 6923688
(4S)-5-acetyl-4-(3-bromophenyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 132539338
6-(3-bromophenyl)piperidine-2,4-dione
CID 83825931
2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 69070989
9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
CID 103565619
(2S)-2-(3-bromophenyl)-1,4-diazaspiro[4.4]nonan-3-one
CID 86334224
(9R)-9-(3-bromophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1094693

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione?
The IUPAC name of 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione (CID 79431517) is 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione.
What is the SMILES notation for 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione?
The canonical SMILES for 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione is O=C1CC(C2CCCC2)C(c2cccc(Br)c2)C(=O)N1.
What is the InChIKey of 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione?
The InChIKey is IXULYMQQVIEKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-12-7-3-6-11(8-12)15-13(10-4-1-2-5-10)9-14(19)18-16(15)20/h3,6-8,10,13,15H,1-2,4-5,9H2,(H,18,19,20).
What are the key properties of 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione?
3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione has a molecular weight of 336.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione is sourced from PubChem (CID 79431517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).