3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane

C15H21ClN2O2 — CID 170749493

IUPAC3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
SMILESCC.CCc1ccc(NC2CCC(=O)NC2=O)cc1Cl
InChIInChI=1S/C13H15ClN2O2.C2H6/c1-2-8-3-4-9(7-10(8)14)15-11-5-6-12(17)16-13(11)18;1-2/h3-4,7,11,15H,2,5-6H2,1H3,(H,16,17,18);1-2H3
InChIKeyLXBLECUETNFCAV-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.15
Rot. Bonds3

About 3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane

3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane (PubChem CID 170749493) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane.

Molecular Properties

Compound Name3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
PubChem CID170749493
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
SMILESCC.CCc1ccc(NC2CCC(=O)NC2=O)cc1Cl
InChIInChI=1S/C13H15ClN2O2.C2H6/c1-2-8-3-4-9(7-10(8)14)15-11-5-6-12(17)16-13(11)18;1-2/h3-4,7,11,15H,2,5-6H2,1H3,(H,16,17,18);1-2H3
InChIKeyLXBLECUETNFCAV-UHFFFAOYSA-N
XLogP3.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.15
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

ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
CID 156515927
3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane
CID 169082326
2-[1-[2-chloro-4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]-4-hydroxypiperidin-4-yl]acetic acid;hydrochloride
CID 156505886
3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione
CID 172590343
tert-butyl 4-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 162726270
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
CID 176683649
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80941106

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane?
The IUPAC name of 3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane (CID 170749493) is 3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane.
What is the SMILES notation for 3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane?
The canonical SMILES for 3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane is CC.CCc1ccc(NC2CCC(=O)NC2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane?
The InChIKey is LXBLECUETNFCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2.C2H6/c1-2-8-3-4-9(7-10(8)14)15-11-5-6-12(17)16-13(11)18;1-2/h3-4,7,11,15H,2,5-6H2,1H3,(H,16,17,18);1-2H3.
What are the key properties of 3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane?
3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane has a molecular weight of 296.80 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane is sourced from PubChem (CID 170749493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).