4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one

C15H23NO2S — CID 102960564

IUPAC4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one
SMILESCOC1CN(CCCC(=O)c2cccs2)CCC1C
InChIInChI=1S/C15H23NO2S/c1-12-7-9-16(11-14(12)18-2)8-3-5-13(17)15-6-4-10-19-15/h4,6,10,12,14H,3,5,7-9,11H2,1-2H3
InChIKeyNETADNFMVODYGC-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.07
Rot. Bonds6

About 4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one

4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one (PubChem CID 102960564) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one
PubChem CID102960564
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one
SMILESCOC1CN(CCCC(=O)c2cccs2)CCC1C
InChIInChI=1S/C15H23NO2S/c1-12-7-9-16(11-14(12)18-2)8-3-5-13(17)15-6-4-10-19-15/h4,6,10,12,14H,3,5,7-9,11H2,1-2H3
InChIKeyNETADNFMVODYGC-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 112626449
4-[3-(dimethylamino)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 63163843
4-[3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 60688496
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 107228085
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-thiophen-2-ylethanone
CID 114679282
4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 62773651
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 62968235
3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one
CID 62491674
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one (CID 102960564) is 4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one is COC1CN(CCCC(=O)c2cccs2)CCC1C.
What is the InChIKey of 4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one?
The InChIKey is NETADNFMVODYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12-7-9-16(11-14(12)18-2)8-3-5-13(17)15-6-4-10-19-15/h4,6,10,12,14H,3,5,7-9,11H2,1-2H3.
What are the key properties of 4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one?
4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one has a molecular weight of 281.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 102960564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).