2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide

C14H20N2O2S — CID 54989569

IUPAC2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
SMILESCc1ccc(C(=O)CN2CCC(CC(N)=O)CC2)s1
InChIInChI=1S/C14H20N2O2S/c1-10-2-3-13(19-10)12(17)9-16-6-4-11(5-7-16)8-14(15)18/h2-3,11H,4-9H2,1H3,(H2,15,18)
InChIKeyTXPGDZWWDIVADV-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.83
Rot. Bonds5

About 2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide

2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide (PubChem CID 54989569) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
PubChem CID54989569
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
SMILESCc1ccc(C(=O)CN2CCC(CC(N)=O)CC2)s1
InChIInChI=1S/C14H20N2O2S/c1-10-2-3-13(19-10)12(17)9-16-6-4-11(5-7-16)8-14(15)18/h2-3,11H,4-9H2,1H3,(H2,15,18)
InChIKeyTXPGDZWWDIVADV-UHFFFAOYSA-N
XLogP1.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43228150
2-(4,4-diethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 55221827
2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755
5-[[4-(2-amino-2-oxoethyl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 63377926
2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989522
1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
CID 58514655
2-(4-hydroxy-4-methylazepan-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 107405341
1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 62205766
5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 60978074
2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 55039892
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 82750333
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(5-methylthiophen-2-yl)ethanone
CID 102727266

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide (CID 54989569) is 2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide is Cc1ccc(C(=O)CN2CCC(CC(N)=O)CC2)s1.
What is the InChIKey of 2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide?
The InChIKey is TXPGDZWWDIVADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-2-3-13(19-10)12(17)9-16-6-4-11(5-7-16)8-14(15)18/h2-3,11H,4-9H2,1H3,(H2,15,18).
What are the key properties of 2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide?
2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide has a molecular weight of 280.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 54989569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).