3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C20H18F3N3O4 — CID 2950507

IUPAC3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)13-3-5-14(6-4-13)26-17(27)12-15(18(26)28)24-7-9-25(10-8-24)19(29)16-2-1-11-30-16/h1-6,11,15H,7-10,12H2
InChIKeyCUMOVNDCLRGZLM-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.39
Rot. Bonds3

About 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 2950507) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID2950507
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)13-3-5-14(6-4-13)26-17(27)12-15(18(26)28)24-7-9-25(10-8-24)19(29)16-2-1-11-30-16/h1-6,11,15H,7-10,12H2
InChIKeyCUMOVNDCLRGZLM-UHFFFAOYSA-N
XLogP2.39
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 2950507) is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is O=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)CC1.
What is the InChIKey of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is CUMOVNDCLRGZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c21-20(22,23)13-3-5-14(6-4-13)26-17(27)12-15(18(26)28)24-7-9-25(10-8-24)19(29)16-2-1-11-30-16/h1-6,11,15H,7-10,12H2.
What are the key properties of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 421.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2950507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).