1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione

C16H19F2N3O2 — CID 17228704

IUPAC1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCCN1CCN(C2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1
InChIInChI=1S/C16H19F2N3O2/c1-2-19-5-7-20(8-6-19)14-10-15(22)21(16(14)23)11-3-4-12(17)13(18)9-11/h3-4,9,14H,2,5-8,10H2,1H3
InChIKeyZSYRIWOZLSHTIP-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.23
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione

1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 17228704) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID17228704
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCCN1CCN(C2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1
InChIInChI=1S/C16H19F2N3O2/c1-2-19-5-7-20(8-6-19)14-10-15(22)21(16(14)23)11-3-4-12(17)13(18)9-11/h3-4,9,14H,2,5-8,10H2,1H3
InChIKeyZSYRIWOZLSHTIP-UHFFFAOYSA-N
XLogP1.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.23
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

1-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 3116096
(3R)-3-(4-ethylpiperazin-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1091128
4-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carbaldehyde
CID 98292764
(3R)-1-[4-(dimethylamino)phenyl]-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2242268
4-[(3R)-3-(4-ethylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 51637766
(3S)-1-(4-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 702410
1-(3-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2866902
ethyl 1-[1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 17035917
(3S)-1-(4-butoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2273431
(3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione
CID 29101458
(3R)-1-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]pyrrolidine-2,5-dione
CID 29158100
[2-(4-chlorophenyl)-2-oxoethyl] 4-[3-(4-ethylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23098318

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 17228704) is 1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione is CCN1CCN(C2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is ZSYRIWOZLSHTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-2-19-5-7-20(8-6-19)14-10-15(22)21(16(14)23)11-3-4-12(17)13(18)9-11/h3-4,9,14H,2,5-8,10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 323.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 17228704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).