1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone

C17H18FNO2S — CID 110396938

IUPAC1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FNO2S/c18-13-3-5-14(6-4-13)21-15-7-9-19(10-8-15)17(20)12-16-2-1-11-22-16/h1-6,11,15H,7-10,12H2
InChIKeyQIGXXVZCYGNURV-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.50
Rot. Bonds4

About 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 110396938) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID110396938
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FNO2S/c18-13-3-5-14(6-4-13)21-15-7-9-19(10-8-15)17(20)12-16-2-1-11-22-16/h1-6,11,15H,7-10,12H2
InChIKeyQIGXXVZCYGNURV-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 84561766
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110818300
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289457
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
CID 134230783
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 119950821
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 110601864
2-(4-fluorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617113

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 110396938) is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is QIGXXVZCYGNURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-13-3-5-14(6-4-13)21-15-7-9-19(10-8-15)17(20)12-16-2-1-11-22-16/h1-6,11,15H,7-10,12H2.
What are the key properties of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 319.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110396938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).