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

C23H26F3N3O2 — CID 139880387

IUPAC5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(C(O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)N1
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)18-2-1-3-19(14-18)29-12-10-28(11-13-29)15-21(30)17-6-4-16(5-7-17)20-8-9-22(31)27-20/h1-7,14,20-21,30H,8-13,15H2,(H,27,31)
InChIKeyGATSFOOWMXHQIG-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.51
Rot. Bonds5

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

5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 139880387) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one
PubChem CID139880387
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(C(O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)N1
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)18-2-1-3-19(14-18)29-12-10-28(11-13-29)15-21(30)17-6-4-16(5-7-17)20-8-9-22(31)27-20/h1-7,14,20-21,30H,8-13,15H2,(H,27,31)
InChIKeyGATSFOOWMXHQIG-UHFFFAOYSA-N
XLogP3.51
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one
CID 139711919
5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one
CID 23048806
1-[4-(dimethylamino)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 71774827
1-[6-[(1S)-1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 92549420
(2S)-1-(4-fluorophenyl)sulfanyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 1476177
3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110883491
(2S)-1-cyclopentyloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 42588080
1-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;2,3-dihydroxybutanedioic acid
CID 13035993
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067
2,4-bis(3-methylphenyl)-1,5-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-3-one
CID 174639757
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 157343351

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one (CID 139880387) is 5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one is O=C1CCC(c2ccc(C(O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)N1.
What is the InChIKey of 5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is GATSFOOWMXHQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c24-23(25,26)18-2-1-3-19(14-18)29-12-10-28(11-13-29)15-21(30)17-6-4-16(5-7-17)20-8-9-22(31)27-20/h1-7,14,20-21,30H,8-13,15H2,(H,27,31).
What are the key properties of 5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one?
5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 433.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 139880387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).