3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione

C15H20FN3O2 — CID 170625589

IUPAC3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(C2=CC(F)C(N3CCNCC3)C=C2)C(=O)N1
InChIInChI=1S/C15H20FN3O2/c16-12-9-10(11-2-4-14(20)18-15(11)21)1-3-13(12)19-7-5-17-6-8-19/h1,3,9,11-13,17H,2,4-8H2,(H,18,20,21)
InChIKeyYDOJMZGFGYOQSL-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.15
Rot. Bonds2

About 3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione

3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione (PubChem CID 170625589) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione
PubChem CID170625589
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(C2=CC(F)C(N3CCNCC3)C=C2)C(=O)N1
InChIInChI=1S/C15H20FN3O2/c16-12-9-10(11-2-4-14(20)18-15(11)21)1-3-13(12)19-7-5-17-6-8-19/h1,3,9,11-13,17H,2,4-8H2,(H,18,20,21)
InChIKeyYDOJMZGFGYOQSL-UHFFFAOYSA-N
XLogP0.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione (CID 170625589) is 3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione is O=C1CCC(C2=CC(F)C(N3CCNCC3)C=C2)C(=O)N1.
What is the InChIKey of 3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione?
The InChIKey is YDOJMZGFGYOQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-12-9-10(11-2-4-14(20)18-15(11)21)1-3-13(12)19-7-5-17-6-8-19/h1,3,9,11-13,17H,2,4-8H2,(H,18,20,21).
What are the key properties of 3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione?
3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione has a molecular weight of 293.34 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 170625589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).