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

C25H28F3N3O2 — CID 139711919

IUPAC5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(C(=O)CCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)N1
InChIInChI=1S/C25H28F3N3O2/c26-25(27,28)20-3-1-4-21(17-20)31-15-13-30(14-16-31)12-2-5-23(32)19-8-6-18(7-9-19)22-10-11-24(33)29-22/h1,3-4,6-9,17,22H,2,5,10-16H2,(H,29,33)
InChIKeyOWYAZDXICDBFQQ-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.44
Rot. Bonds7

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

5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one (PubChem CID 139711919) has the molecular formula C25H28F3N3O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one
PubChem CID139711919
Molecular FormulaC25H28F3N3O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(C(=O)CCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)N1
InChIInChI=1S/C25H28F3N3O2/c26-25(27,28)20-3-1-4-21(17-20)31-15-13-30(14-16-31)12-2-5-23(32)19-8-6-18(7-9-19)22-10-11-24(33)29-22/h1,3-4,6-9,17,22H,2,5,10-16H2,(H,29,33)
InChIKeyOWYAZDXICDBFQQ-UHFFFAOYSA-N
XLogP4.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one
CID 139880387
5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one
CID 23048806
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169
oxalic acid;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 163332625
1-ethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzimidazol-2-one
CID 59144857
5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one
CID 23048808
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
3-methyl-6-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanoyl]-1,3-benzoxazol-2-one
CID 14556329
4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione
CID 14086524
3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
CID 23369442
methyl N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 70526234

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one (CID 139711919) is 5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one is O=C1CCC(c2ccc(C(=O)CCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)N1.
What is the InChIKey of 5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one?
The InChIKey is OWYAZDXICDBFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O2/c26-25(27,28)20-3-1-4-21(17-20)31-15-13-30(14-16-31)12-2-5-23(32)19-8-6-18(7-9-19)22-10-11-24(33)29-22/h1,3-4,6-9,17,22H,2,5,10-16H2,(H,29,33).
What are the key properties of 5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one?
5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one has a molecular weight of 459.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 139711919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).