3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione

C17H22FN3O2 — CID 166116987

IUPAC3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
SMILESCN1CCC(c2ccc(NC3CCC(=O)NC3=O)c(F)c2)CC1
InChIInChI=1S/C17H22FN3O2/c1-21-8-6-11(7-9-21)12-2-3-14(13(18)10-12)19-15-4-5-16(22)20-17(15)23/h2-3,10-11,15,19H,4-9H2,1H3,(H,20,22,23)
InChIKeyIOIPWZYDGHNJHF-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.85
Rot. Bonds3

About 3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione

3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione (PubChem CID 166116987) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
PubChem CID166116987
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
SMILESCN1CCC(c2ccc(NC3CCC(=O)NC3=O)c(F)c2)CC1
InChIInChI=1S/C17H22FN3O2/c1-21-8-6-11(7-9-21)12-2-3-14(13(18)10-12)19-15-4-5-16(22)20-17(15)23/h2-3,10-11,15,19H,4-9H2,1H3,(H,20,22,23)
InChIKeyIOIPWZYDGHNJHF-UHFFFAOYSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
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-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691
tert-butyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-fluorophenyl]piperidin-1-yl]acetate
CID 156516068
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 170953722
3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione
CID 170954027
3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione
CID 172609781
3-tert-butyl-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-fluorophenyl]piperidine-1-carboxylic acid
CID 174235465
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
CID 176683649
2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 165380103
3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166468153
ethane;ethene;3-(2-fluoroanilino)piperidine-2,6-dione;molecular hydrogen
CID 176683577
3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
CID 166117430

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione (CID 166116987) is 3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione is CN1CCC(c2ccc(NC3CCC(=O)NC3=O)c(F)c2)CC1.
What is the InChIKey of 3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The InChIKey is IOIPWZYDGHNJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-21-8-6-11(7-9-21)12-2-3-14(13(18)10-12)19-15-4-5-16(22)20-17(15)23/h2-3,10-11,15,19H,4-9H2,1H3,(H,20,22,23).
What are the key properties of 3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione?
3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione has a molecular weight of 319.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 166116987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).