1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C18H22FN3O3 — CID 60505637

IUPAC1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C(=O)N2CCN(CCN3C(=O)CCC3=O)CC2)cc1F
InChIInChI=1S/C18H22FN3O3/c1-13-2-3-14(12-15(13)19)18(25)21-9-6-20(7-10-21)8-11-22-16(23)4-5-17(22)24/h2-3,12H,4-11H2,1H3
InChIKeyZJXLNQWEOONBGY-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.04
Rot. Bonds4

About 1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 60505637) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID60505637
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(C(=O)N2CCN(CCN3C(=O)CCC3=O)CC2)cc1F
InChIInChI=1S/C18H22FN3O3/c1-13-2-3-14(12-15(13)19)18(25)21-9-6-20(7-10-21)8-11-22-16(23)4-5-17(22)24/h2-3,12H,4-11H2,1H3
InChIKeyZJXLNQWEOONBGY-UHFFFAOYSA-N
XLogP1.04
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.04
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-(2-bromoethyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80660633
(3-fluoro-4-methylphenyl)-[4-(5-hydroxypentyl)piperazin-1-yl]methanone
CID 110923840
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 47280720
ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one
CID 67568721
1-(4-acetylpiperazin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60505688
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 55827633
1-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-5-one
CID 55025671
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 60505787
[4-(aminomethyl)phenyl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119282079
[4-(4-aminobutyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 63209284
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanone
CID 119046124
1-[2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 47088369

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 60505637) is 1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is Cc1ccc(C(=O)N2CCN(CCN3C(=O)CCC3=O)CC2)cc1F.
What is the InChIKey of 1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is ZJXLNQWEOONBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-13-2-3-14(12-15(13)19)18(25)21-9-6-20(7-10-21)8-11-22-16(23)4-5-17(22)24/h2-3,12H,4-11H2,1H3.
What are the key properties of 1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 347.39 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 60505637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).