3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione

C15H18FN3O2 — CID 177028079

IUPAC3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(F)c(N3CCNCC3)c2)C(=O)N1
InChIInChI=1S/C15H18FN3O2/c16-12-3-1-10(11-2-4-14(20)18-15(11)21)9-13(12)19-7-5-17-6-8-19/h1,3,9,11,17H,2,4-8H2,(H,18,20,21)
InChIKeyZGBDZXSDBPLKLK-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.76
Rot. Bonds2

About 3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione

3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione (PubChem CID 177028079) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione
PubChem CID177028079
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(F)c(N3CCNCC3)c2)C(=O)N1
InChIInChI=1S/C15H18FN3O2/c16-12-3-1-10(11-2-4-14(20)18-15(11)21)9-13(12)19-7-5-17-6-8-19/h1,3,9,11,17H,2,4-8H2,(H,18,20,21)
InChIKeyZGBDZXSDBPLKLK-UHFFFAOYSA-N
XLogP0.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.76
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-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
CID 166116993
3-[3-fluoro-4-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenyl]piperidine-2,6-dione;3,3,3-trifluoroprop-1-en-2-ol
CID 177364562
3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione
CID 167463182
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 171598542
3-[4-[4-[(ethenylamino)methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 178116403
3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 170952357
ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
CID 177363109
3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
CID 170979872
3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463189
3-(3-fluoro-4-piperidin-4-ylphenyl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175829694
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde
CID 170325245

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione?
The IUPAC name of 3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione (CID 177028079) is 3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione is O=C1CCC(c2ccc(F)c(N3CCNCC3)c2)C(=O)N1.
What is the InChIKey of 3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione?
The InChIKey is ZGBDZXSDBPLKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-12-3-1-10(11-2-4-14(20)18-15(11)21)9-13(12)19-7-5-17-6-8-19/h1,3,9,11,17H,2,4-8H2,(H,18,20,21).
What are the key properties of 3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione?
3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione has a molecular weight of 291.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 177028079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).