5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one

C15H17ClF3N3O — CID 3021872

IUPAC5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1CCC(N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)N1
InChIInChI=1S/C15H17ClF3N3O/c16-12-2-1-10(9-11(12)15(17,18)19)21-5-7-22(8-6-21)13-3-4-14(23)20-13/h1-2,9,13H,3-8H2,(H,20,23)
InChIKeyFQYJXIHFYAIUFY-UHFFFAOYSA-N
MW347.77 g/mol
LogP2.72
Rot. Bonds2

About 5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one

5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one (PubChem CID 3021872) has the molecular formula C15H17ClF3N3O and a molecular weight of 347.77 g/mol. Its IUPAC name is 5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one
PubChem CID3021872
Molecular FormulaC15H17ClF3N3O
Molecular Weight347.77 g/mol
Exact Mass347.10
IUPAC Name5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1CCC(N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)N1
InChIInChI=1S/C15H17ClF3N3O/c16-12-2-1-10(9-11(12)15(17,18)19)21-5-7-22(8-6-21)13-3-4-14(23)20-13/h1-2,9,13H,3-8H2,(H,20,23)
InChIKeyFQYJXIHFYAIUFY-UHFFFAOYSA-N
XLogP2.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one (CID 3021872) is 5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one is O=C1CCC(N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)N1.
What is the InChIKey of 5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is FQYJXIHFYAIUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3O/c16-12-2-1-10(9-11(12)15(17,18)19)21-5-7-22(8-6-21)13-3-4-14(23)20-13/h1-2,9,13H,3-8H2,(H,20,23).
What are the key properties of 5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one?
5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 347.77 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 3021872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).