1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one

C13H19NOS — CID 116860088

IUPAC1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)C(c1sccc1C)N1CCCCC1
InChIInChI=1S/C13H19NOS/c1-10-6-9-16-13(10)12(11(2)15)14-7-4-3-5-8-14/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeyCCUDVSYIVUCWRV-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.17
Rot. Bonds3

About 1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one

1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one (PubChem CID 116860088) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one
PubChem CID116860088
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)C(c1sccc1C)N1CCCCC1
InChIInChI=1S/C13H19NOS/c1-10-6-9-16-13(10)12(11(2)15)14-7-4-3-5-8-14/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeyCCUDVSYIVUCWRV-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol
CID 116860167
1-(azepan-1-yl)-2-chloro-2-(3-methylthiophen-2-yl)ethanone
CID 55047727
1-(azepan-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 83979472
2-(3-methylthiophen-2-yl)-2-morpholin-4-yl-1-phenylethanone
CID 175303916
ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate
CID 97355402
3-amino-3-(3-methylthiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851424
2-[4-[1-(3-methylthiophen-2-yl)ethyl]piperazin-1-yl]propanoic acid
CID 65062707
1-(4-chlorophenyl)-1-pyrrolidin-1-ylpropan-2-one
CID 70539121
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194728
2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7475498
1-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpropan-2-one
CID 116860043
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one (CID 116860088) is 1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one is CC(=O)C(c1sccc1C)N1CCCCC1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one?
The InChIKey is CCUDVSYIVUCWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-6-9-16-13(10)12(11(2)15)14-7-4-3-5-8-14/h6,9,12H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one?
1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one has a molecular weight of 237.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one is sourced from PubChem (CID 116860088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).