3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione

C16H20FN3O2 — CID 156505691

IUPAC3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(C3CCNCC3)cc2F)C(=O)N1
InChIInChI=1S/C16H20FN3O2/c17-12-9-11(10-5-7-18-8-6-10)1-2-13(12)19-14-3-4-15(21)20-16(14)22/h1-2,9-10,14,18-19H,3-8H2,(H,20,21,22)
InChIKeyZBNFMBRJHAHDFF-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.51
Rot. Bonds3

About 3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione

3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione (PubChem CID 156505691) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
PubChem CID156505691
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(C3CCNCC3)cc2F)C(=O)N1
InChIInChI=1S/C16H20FN3O2/c17-12-9-11(10-5-7-18-8-6-10)1-2-13(12)19-14-3-4-15(21)20-16(14)22/h1-2,9-10,14,18-19H,3-8H2,(H,20,21,22)
InChIKeyZBNFMBRJHAHDFF-UHFFFAOYSA-N
XLogP1.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.51
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

3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166116987
3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione
CID 172609781
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
(3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170728957
tert-butyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-fluorophenyl]piperidin-1-yl]acetate
CID 156516068
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione
CID 170954027
3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
CID 176683649
3-tert-butyl-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-fluorophenyl]piperidine-1-carboxylic acid
CID 174235465
3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione
CID 178017408
ethane;ethene;3-(2-fluoroanilino)piperidine-2,6-dione;molecular hydrogen
CID 176683577
3-(2-piperazin-1-ylanilino)piperidine-2,6-dione
CID 168896759

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione?
The IUPAC name of 3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione (CID 156505691) is 3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione?
The canonical SMILES for 3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione is O=C1CCC(Nc2ccc(C3CCNCC3)cc2F)C(=O)N1.
What is the InChIKey of 3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione?
The InChIKey is ZBNFMBRJHAHDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-12-9-11(10-5-7-18-8-6-10)1-2-13(12)19-14-3-4-15(21)20-16(14)22/h1-2,9-10,14,18-19H,3-8H2,(H,20,21,22).
What are the key properties of 3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione?
3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione has a molecular weight of 305.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione is sourced from PubChem (CID 156505691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).