3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione

C16H17NO3 — CID 166947876

IUPAC3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(C3CCC(=O)NC3=O)cc2)C1
InChIInChI=1S/C16H17NO3/c18-13-6-5-12(9-13)10-1-3-11(4-2-10)14-7-8-15(19)17-16(14)20/h1-4,12,14H,5-9H2,(H,17,19,20)
InChIKeyANXGNEVEGCKTDZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.04
Rot. Bonds2

About 3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione

3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione (PubChem CID 166947876) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
PubChem CID166947876
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(C3CCC(=O)NC3=O)cc2)C1
InChIInChI=1S/C16H17NO3/c18-13-6-5-12(9-13)10-1-3-11(4-2-10)14-7-8-15(19)17-16(14)20/h1-4,12,14H,5-9H2,(H,17,19,20)
InChIKeyANXGNEVEGCKTDZ-UHFFFAOYSA-N
XLogP2.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(3-oxocyclopentyl)phenyl]piperidine-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

(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 168735277
3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione
CID 170325130
3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal
CID 171098619
3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione
CID 166117144
3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione
CID 82120778
3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione
CID 172584861
3-(4-hexoxyphenyl)piperidine-2,6-dione
CID 172584857
actinium;ethane;3-phenylpiperidine-2,6-dione
CID 176713494
3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione
CID 178015398
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione (CID 166947876) is 3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(C3CCC(=O)NC3=O)cc2)C1.
What is the InChIKey of 3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione?
The InChIKey is ANXGNEVEGCKTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-13-6-5-12(9-13)10-1-3-11(4-2-10)14-7-8-15(19)17-16(14)20/h1-4,12,14H,5-9H2,(H,17,19,20).
What are the key properties of 3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione?
3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione has a molecular weight of 271.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 166947876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).