1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione

C14H16FN3O2 — CID 54773613

IUPAC1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCNCC2)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C14H16FN3O2/c15-10-2-1-3-11(8-10)18-13(19)9-12(14(18)20)17-6-4-16-5-7-17/h1-3,8,12,16H,4-7,9H2
InChIKeyPMEQDEDUCIJGJB-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.36
Rot. Bonds2

About 1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione

1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione (PubChem CID 54773613) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
PubChem CID54773613
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCNCC2)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C14H16FN3O2/c15-10-2-1-3-11(8-10)18-13(19)9-12(14(18)20)17-6-4-16-5-7-17/h1-3,8,12,16H,4-7,9H2
InChIKeyPMEQDEDUCIJGJB-UHFFFAOYSA-N
XLogP0.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773622
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773614
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1381072
1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 5293909
(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 793181
1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2827716
(3S)-1-(3-methoxyphenyl)-3-[4-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1035139
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773610
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 167795857
1-(4-fluorophenyl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 3881670

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione (CID 54773613) is 1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione is O=C1CC(N2CCNCC2)C(=O)N1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione?
The InChIKey is PMEQDEDUCIJGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-10-2-1-3-11(8-10)18-13(19)9-12(14(18)20)17-6-4-16-5-7-17/h1-3,8,12,16H,4-7,9H2.
What are the key properties of 1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione?
1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione has a molecular weight of 277.30 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 54773613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).