[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone

C17H17F2NO2S — CID 46028994

IUPAC[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H17F2NO2S/c18-13-7-12(8-14(19)9-13)11-22-15-3-1-5-20(10-15)17(21)16-4-2-6-23-16/h2,4,6-9,15H,1,3,5,10-11H2
InChIKeyACTGOJXWVIYFDD-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.85
Rot. Bonds4

About [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone

[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 46028994) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID46028994
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC Name[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H17F2NO2S/c18-13-7-12(8-14(19)9-13)11-22-15-3-1-5-20(10-15)17(21)16-4-2-6-23-16/h2,4,6-9,15H,1,3,5,10-11H2
InChIKeyACTGOJXWVIYFDD-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone (CID 46028994) is [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCC(OCc2cc(F)cc(F)c2)C1.
What is the InChIKey of [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ACTGOJXWVIYFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c18-13-7-12(8-14(19)9-13)11-22-15-3-1-5-20(10-15)17(21)16-4-2-6-23-16/h2,4,6-9,15H,1,3,5,10-11H2.
What are the key properties of [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone?
[3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 337.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 46028994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).