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

C13H17N3O2 — CID 166729742

IUPAC3-[4-(ethylamino)anilino]piperidine-2,6-dione
SMILESCCNc1ccc(NC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-2-14-9-3-5-10(6-4-9)15-11-7-8-12(17)16-13(11)18/h3-6,11,14-15H,2,7-8H2,1H3,(H,16,17,18)
InChIKeyMUNISAHBVWMUGB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.34
Rot. Bonds4

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

3-[4-(ethylamino)anilino]piperidine-2,6-dione (PubChem CID 166729742) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[4-(ethylamino)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(ethylamino)anilino]piperidine-2,6-dione
PubChem CID166729742
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[4-(ethylamino)anilino]piperidine-2,6-dione
SMILESCCNc1ccc(NC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-2-14-9-3-5-10(6-4-9)15-11-7-8-12(17)16-13(11)18/h3-6,11,14-15H,2,7-8H2,1H3,(H,16,17,18)
InChIKeyMUNISAHBVWMUGB-UHFFFAOYSA-N
XLogP1.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
CID 156515927
3-(4-ethynylanilino)piperidine-2,6-dione
CID 170917477
3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
CID 170749493
potassium 3-(anilino)piperidine-2,6-dione
CID 169190282
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80941192
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione
CID 172590343
3-[4-[(2,6-dioxopiperidin-3-yl)amino]phenoxy]propyl hypoiodite
CID 170007516

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylamino)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-(ethylamino)anilino]piperidine-2,6-dione (CID 166729742) is 3-[4-(ethylamino)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(ethylamino)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(ethylamino)anilino]piperidine-2,6-dione is CCNc1ccc(NC2CCC(=O)NC2=O)cc1.
What is the InChIKey of 3-[4-(ethylamino)anilino]piperidine-2,6-dione?
The InChIKey is MUNISAHBVWMUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-14-9-3-5-10(6-4-9)15-11-7-8-12(17)16-13(11)18/h3-6,11,14-15H,2,7-8H2,1H3,(H,16,17,18).
What are the key properties of 3-[4-(ethylamino)anilino]piperidine-2,6-dione?
3-[4-(ethylamino)anilino]piperidine-2,6-dione has a molecular weight of 247.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylamino)anilino]piperidine-2,6-dione is sourced from PubChem (CID 166729742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).