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

C22H25F3N2O4 — CID 45208792

IUPAC1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C(CC1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCCC1CO
InChIInChI=1S/C22H25F3N2O4/c23-22(24,25)15-5-3-4-14(10-15)21(12-19(30)27(20(21)31)16-7-8-16)11-18(29)26-9-2-1-6-17(26)13-28/h3-5,10,16-17,28H,1-2,6-9,11-13H2
InChIKeyCWLIKOVXGWJKSI-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.63
Rot. Bonds5

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

1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 45208792) has the molecular formula C22H25F3N2O4 and a molecular weight of 438.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID45208792
Molecular FormulaC22H25F3N2O4
Molecular Weight438.45 g/mol
Exact Mass438.18
IUPAC Name1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C(CC1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCCC1CO
InChIInChI=1S/C22H25F3N2O4/c23-22(24,25)15-5-3-4-14(10-15)21(12-19(30)27(20(21)31)16-7-8-16)11-18(29)26-9-2-1-6-17(26)13-28/h3-5,10,16-17,28H,1-2,6-9,11-13H2
InChIKeyCWLIKOVXGWJKSI-UHFFFAOYSA-N
XLogP2.63
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
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-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 45208792) is 1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is O=C(CC1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCCC1CO.
What is the InChIKey of 1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is CWLIKOVXGWJKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4/c23-22(24,25)15-5-3-4-14(10-15)21(12-19(30)27(20(21)31)16-7-8-16)11-18(29)26-9-2-1-6-17(26)13-28/h3-5,10,16-17,28H,1-2,6-9,11-13H2.
What are the key properties of 1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 438.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45208792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).