3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione

C16H22N2O2 — CID 170953285

IUPAC3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione
SMILESCCc1c(NC2CCC(=O)NC2=O)cccc1C(C)C
InChIInChI=1S/C16H22N2O2/c1-4-11-12(10(2)3)6-5-7-13(11)17-14-8-9-15(19)18-16(14)20/h5-7,10,14,17H,4,8-9H2,1-3H3,(H,18,19,20)
InChIKeyPGJIKCSBPSDEPT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.59
Rot. Bonds4

About 3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione

3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione (PubChem CID 170953285) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione
PubChem CID170953285
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione
SMILESCCc1c(NC2CCC(=O)NC2=O)cccc1C(C)C
InChIInChI=1S/C16H22N2O2/c1-4-11-12(10(2)3)6-5-7-13(11)17-14-8-9-15(19)18-16(14)20/h5-7,10,14,17H,4,8-9H2,1-3H3,(H,18,19,20)
InChIKeyPGJIKCSBPSDEPT-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]piperidine-2,6-dione
CID 146573480
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
CID 176683649
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 43637713
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
ethane;ethene;3-(2-fluoroanilino)piperidine-2,6-dione;molecular hydrogen
CID 176683577
3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione
CID 146573025
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-[(2-amino-3-pyridinyl)amino]piperidine-2,6-dione
CID 104540520
3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione
CID 177356085

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione?
The IUPAC name of 3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione (CID 170953285) is 3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione?
The canonical SMILES for 3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione is CCc1c(NC2CCC(=O)NC2=O)cccc1C(C)C.
What is the InChIKey of 3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione?
The InChIKey is PGJIKCSBPSDEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-11-12(10(2)3)6-5-7-13(11)17-14-8-9-15(19)18-16(14)20/h5-7,10,14,17H,4,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of 3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione?
3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione has a molecular weight of 274.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione is sourced from PubChem (CID 170953285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).