1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one

C13H17NO2S — CID 62023560

IUPAC1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one
SMILESCc1cc(C(=O)CN2CCCCC2=O)c(C)s1
InChIInChI=1S/C13H17NO2S/c1-9-7-11(10(2)17-9)12(15)8-14-6-4-3-5-13(14)16/h7H,3-6,8H2,1-2H3
InChIKeySOUNHMPHEHDAMB-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.56
Rot. Bonds3

About 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one

1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 62023560) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one
PubChem CID62023560
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one
SMILESCc1cc(C(=O)CN2CCCCC2=O)c(C)s1
InChIInChI=1S/C13H17NO2S/c1-9-7-11(10(2)17-9)12(15)8-14-6-4-3-5-13(14)16/h7H,3-6,8H2,1-2H3
InChIKeySOUNHMPHEHDAMB-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 9373125
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one
CID 62025390
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62053004
1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one
CID 62019552
1-[2-(2-chlorophenyl)-2-oxoethyl]azepan-2-one
CID 62024083
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]azepan-2-one
CID 62023902
1-[2-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018810
4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64694097
4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-7,8-dihydro-6H-thieno[3,2-b]azepin-5-one
CID 63748455
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79505869
1-[2-(2-bromophenyl)-2-oxoethyl]azepan-2-one
CID 62023147
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1,4-diazepan-5-one
CID 55133730

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one (CID 62023560) is 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one is Cc1cc(C(=O)CN2CCCCC2=O)c(C)s1.
What is the InChIKey of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is SOUNHMPHEHDAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9-7-11(10(2)17-9)12(15)8-14-6-4-3-5-13(14)16/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one?
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 251.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 62023560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).