1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone

C17H17F2NO2S — CID 84561766

IUPAC1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H17F2NO2S/c18-15-4-3-13(10-16(15)19)22-12-5-7-20(8-6-12)17(21)11-14-2-1-9-23-14/h1-4,9-10,12H,5-8,11H2
InChIKeyROQVUIAJBDTPPF-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.64
Rot. Bonds4

About 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 84561766) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID84561766
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC Name1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H17F2NO2S/c18-15-4-3-13(10-16(15)19)22-12-5-7-20(8-6-12)17(21)11-14-2-1-9-23-14/h1-4,9-10,12H,5-8,11H2
InChIKeyROQVUIAJBDTPPF-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110396938
1-[4-(3-chlorophenoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110356932
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone
CID 77090716
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110818300
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110818292
2-(4-chlorophenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108554335
[4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone
CID 143176326
2,3,4-trifluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 108556797
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497
(E)-1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one
CID 84563478

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 84561766) is 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(Oc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is ROQVUIAJBDTPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c18-15-4-3-13(10-16(15)19)22-12-5-7-20(8-6-12)17(21)11-14-2-1-9-23-14/h1-4,9-10,12H,5-8,11H2.
What are the key properties of 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 337.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 84561766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).