1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione

C17H20FN3O3 — CID 18106218

IUPAC1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
SMILESO=C(CCN1C(=O)CCC1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H20FN3O3/c18-13-3-1-2-4-14(13)19-9-11-20(12-10-19)15(22)7-8-21-16(23)5-6-17(21)24/h1-4H,5-12H2
InChIKeyKETFMEVTFRNWCY-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.01
Rot. Bonds4

About 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione (PubChem CID 18106218) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
PubChem CID18106218
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
SMILESO=C(CCN1C(=O)CCC1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H20FN3O3/c18-13-3-1-2-4-14(13)19-9-11-20(12-10-19)15(22)7-8-21-16(23)5-6-17(21)24/h1-4H,5-12H2
InChIKeyKETFMEVTFRNWCY-UHFFFAOYSA-N
XLogP1.01
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 109014531
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one
CID 110854608
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109029805
2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7600733
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
CID 84578028
6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 22576637
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
1-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentane-1,5-dione
CID 3982950
1-[3-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-dione
CID 10047950
10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one
CID 22330323
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione (CID 18106218) is 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione is O=C(CCN1C(=O)CCC1=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
The InChIKey is KETFMEVTFRNWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c18-13-3-1-2-4-14(13)19-9-11-20(12-10-19)15(22)7-8-21-16(23)5-6-17(21)24/h1-4H,5-12H2.
What are the key properties of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione has a molecular weight of 333.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 18106218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).