2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone

C13H19NOS — CID 43228150

IUPAC2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCC(C)CC2)s1
InChIInChI=1S/C13H19NOS/c1-10-5-7-14(8-6-10)9-12(15)13-4-3-11(2)16-13/h3-4,10H,5-9H2,1-2H3
InChIKeyGBYMLMRMUJKUQF-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.97
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone

2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 43228150) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID43228150
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCC(C)CC2)s1
InChIInChI=1S/C13H19NOS/c1-10-5-7-14(8-6-10)9-12(15)13-4-3-11(2)16-13/h3-4,10H,5-9H2,1-2H3
InChIKeyGBYMLMRMUJKUQF-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989569
2-(4,4-diethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 55221827
2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 55039892
2-(4-hydroxy-4-methylazepan-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 107405341
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(5-methylthiophen-2-yl)ethanone
CID 102727266
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 82750333
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 65319921
2-(4-methylazepan-1-yl)-1-thiophen-2-ylethanone
CID 63622264
1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153150
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone
CID 62889309
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18106461

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone (CID 43228150) is 2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CN2CCC(C)CC2)s1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is GBYMLMRMUJKUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-5-7-14(8-6-10)9-12(15)13-4-3-11(2)16-13/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 237.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 43228150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).