3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione

C15H16N2O3 — CID 166522118

IUPAC3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
SMILESO=C1CC(c2ccc(NC3CCC(=O)NC3=O)cc2)C1
InChIInChI=1S/C15H16N2O3/c18-12-7-10(8-12)9-1-3-11(4-2-9)16-13-5-6-14(19)17-15(13)20/h1-4,10,13,16H,5-8H2,(H,17,19,20)
InChIKeyZCHQHLMUUHQDPD-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.35
Rot. Bonds3

About 3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione

3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione (PubChem CID 166522118) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
PubChem CID166522118
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
SMILESO=C1CC(c2ccc(NC3CCC(=O)NC3=O)cc2)C1
InChIInChI=1S/C15H16N2O3/c18-12-7-10(8-12)9-1-3-11(4-2-9)16-13-5-6-14(19)17-15(13)20/h1-4,10,13,16H,5-8H2,(H,17,19,20)
InChIKeyZCHQHLMUUHQDPD-UHFFFAOYSA-N
XLogP1.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-(3-oxocyclobutyl)anilino]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-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
3-(4-piperidin-3-ylanilino)piperidine-2,6-dione
CID 166117596
3-[4-(2,2-dimethylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166117287
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-(4-ethynylanilino)piperidine-2,6-dione
CID 170917477
potassium 3-(anilino)piperidine-2,6-dione
CID 169190282
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
3-[4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)anilino]piperidine-2,6-dione
CID 170749022
2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166117135
O-tert-butyl 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carbothioate
CID 177363967

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione (CID 166522118) is 3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione is O=C1CC(c2ccc(NC3CCC(=O)NC3=O)cc2)C1.
What is the InChIKey of 3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione?
The InChIKey is ZCHQHLMUUHQDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-12-7-10(8-12)9-1-3-11(4-2-9)16-13-5-6-14(19)17-15(13)20/h1-4,10,13,16H,5-8H2,(H,17,19,20).
What are the key properties of 3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione?
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione has a molecular weight of 272.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 166522118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).