1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C22H27F3N2O4 — CID 45168018

IUPAC1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(CC(=O)N2CCCCC2COC)(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C22H27F3N2O4/c1-3-26-18(28)12-21(20(26)30,15-7-6-8-16(11-15)22(23,24)25)13-19(29)27-10-5-4-9-17(27)14-31-2/h6-8,11,17H,3-5,9-10,12-14H2,1-2H3
InChIKeyFOSZTAKKFIHUEF-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.14
Rot. Bonds6

About 1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 45168018) has the molecular formula C22H27F3N2O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is 1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID45168018
Molecular FormulaC22H27F3N2O4
Molecular Weight440.46 g/mol
Exact Mass440.19
IUPAC Name1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(CC(=O)N2CCCCC2COC)(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C22H27F3N2O4/c1-3-26-18(28)12-21(20(26)30,15-7-6-8-16(11-15)22(23,24)25)13-19(29)27-10-5-4-9-17(27)14-31-2/h6-8,11,17H,3-5,9-10,12-14H2,1-2H3
InChIKeyFOSZTAKKFIHUEF-UHFFFAOYSA-N
XLogP3.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 45168018) is 1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is CCN1C(=O)CC(CC(=O)N2CCCCC2COC)(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is FOSZTAKKFIHUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O4/c1-3-26-18(28)12-21(20(26)30,15-7-6-8-16(11-15)22(23,24)25)13-19(29)27-10-5-4-9-17(27)14-31-2/h6-8,11,17H,3-5,9-10,12-14H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 440.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45168018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).