3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione

C15H20FN3O2 — CID 172590343

IUPAC3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione
SMILESCCN(CC)c1ccc(NC2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C15H20FN3O2/c1-3-19(4-2)13-7-5-10(9-11(13)16)17-12-6-8-14(20)18-15(12)21/h5,7,9,12,17H,3-4,6,8H2,1-2H3,(H,18,20,21)
InChIKeyWMFSKROLODGXCV-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.89
Rot. Bonds5

About 3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione

3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione (PubChem CID 172590343) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione
PubChem CID172590343
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione
SMILESCCN(CC)c1ccc(NC2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C15H20FN3O2/c1-3-19(4-2)13-7-5-10(9-11(13)16)17-12-6-8-14(20)18-15(12)21/h5,7,9,12,17H,3-4,6,8H2,1-2H3,(H,18,20,21)
InChIKeyWMFSKROLODGXCV-UHFFFAOYSA-N
XLogP1.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 168856935
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
CID 170749493
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
[5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid
CID 154941373
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione
CID 166168180
3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
CID 176683649
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride
CID 166168179
3-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 176706048
tert-butyl 4-[6-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]hexyl]piperazine-1-carboxylate;ethane
CID 177044299
3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
CID 156515927

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione (CID 172590343) is 3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione is CCN(CC)c1ccc(NC2CCC(=O)NC2=O)cc1F.
What is the InChIKey of 3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione?
The InChIKey is WMFSKROLODGXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-3-19(4-2)13-7-5-10(9-11(13)16)17-12-6-8-14(20)18-15(12)21/h5,7,9,12,17H,3-4,6,8H2,1-2H3,(H,18,20,21).
What are the key properties of 3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione?
3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione has a molecular weight of 293.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione is sourced from PubChem (CID 172590343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).