5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one

C23H25F3N2O3 — CID 71477463

IUPAC5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one
SMILESO=C1CCC(c2ccc(OCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)O1
InChIInChI=1S/C23H25F3N2O3/c24-23(25,26)18-2-1-3-19(16-18)28-12-10-27(11-13-28)14-15-30-20-6-4-17(5-7-20)21-8-9-22(29)31-21/h1-7,16,21H,8-15H2
InChIKeyYMIFKRNMURVXIE-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.28
Rot. Bonds6

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

5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one (PubChem CID 71477463) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one.

Molecular Properties

Compound Name5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one
PubChem CID71477463
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one
SMILESO=C1CCC(c2ccc(OCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)O1
InChIInChI=1S/C23H25F3N2O3/c24-23(25,26)18-2-1-3-19(16-18)28-12-10-27(11-13-28)14-15-30-20-6-4-17(5-7-20)21-8-9-22(29)31-21/h1-7,16,21H,8-15H2
InChIKeyYMIFKRNMURVXIE-UHFFFAOYSA-N
XLogP4.28
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
CID 3051828
2-methyl-7-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-3,4-dihydroisoquinolin-1-one
CID 162663239
1-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 45260939
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
3-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 15030077
5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25073254
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8547900
7-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 86275196
methyl N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 70526234
N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 3229501
5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one
CID 139711919
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-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one?
The IUPAC name of 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one (CID 71477463) is 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one.
What is the SMILES notation for 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one?
The canonical SMILES for 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one is O=C1CCC(c2ccc(OCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)O1.
What is the InChIKey of 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one?
The InChIKey is YMIFKRNMURVXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c24-23(25,26)18-2-1-3-19(16-18)28-12-10-27(11-13-28)14-15-30-20-6-4-17(5-7-20)21-8-9-22(29)31-21/h1-7,16,21H,8-15H2.
What are the key properties of 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one?
5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one has a molecular weight of 434.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]oxolan-2-one is sourced from PubChem (CID 71477463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).