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

C17H21FN2O2 — CID 170953722

IUPAC3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
SMILESCN1CCC(c2ccc(C3CCC(=O)NC3=O)c(F)c2)CC1
InChIInChI=1S/C17H21FN2O2/c1-20-8-6-11(7-9-20)12-2-3-13(15(18)10-12)14-4-5-16(21)19-17(14)22/h2-3,10-11,14H,4-9H2,1H3,(H,19,21,22)
InChIKeyAHLRQEWBZUUUKR-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.16
Rot. Bonds2

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

3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione (PubChem CID 170953722) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
PubChem CID170953722
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
SMILESCN1CCC(c2ccc(C3CCC(=O)NC3=O)c(F)c2)CC1
InChIInChI=1S/C17H21FN2O2/c1-20-8-6-11(7-9-20)12-2-3-13(15(18)10-12)14-4-5-16(21)19-17(14)22/h2-3,10-11,14H,4-9H2,1H3,(H,19,21,22)
InChIKeyAHLRQEWBZUUUKR-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 165380103
3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
CID 166117430
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 168735277
3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 170952357
2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid
CID 166472394
3-(3-fluoro-4-piperidin-4-ylphenyl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175829694
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde
CID 168874545
3-[4-[3-[4-[(3S,5S)-5-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]-2-fluorophenyl]piperidine-2,6-dione
CID 170980165
3-tert-butyl-4-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperazine-1-carboxylic acid
CID 174235565
3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
CID 171127244

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione (CID 170953722) is 3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione is CN1CCC(c2ccc(C3CCC(=O)NC3=O)c(F)c2)CC1.
What is the InChIKey of 3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione?
The InChIKey is AHLRQEWBZUUUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-20-8-6-11(7-9-20)12-2-3-13(15(18)10-12)14-4-5-16(21)19-17(14)22/h2-3,10-11,14H,4-9H2,1H3,(H,19,21,22).
What are the key properties of 3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione?
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione has a molecular weight of 304.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 170953722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).