1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone

C12H17NOS — CID 58514712

IUPAC1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone
SMILESCc1cc(C(=O)CC2CCNCC2)cs1
InChIInChI=1S/C12H17NOS/c1-9-6-11(8-15-9)12(14)7-10-2-4-13-5-3-10/h6,8,10,13H,2-5,7H2,1H3
InChIKeyRNTHXVFEZSURQT-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.63
Rot. Bonds3

About 1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone

1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone (PubChem CID 58514712) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone
PubChem CID58514712
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone
SMILESCc1cc(C(=O)CC2CCNCC2)cs1
InChIInChI=1S/C12H17NOS/c1-9-6-11(8-15-9)12(14)7-10-2-4-13-5-3-10/h6,8,10,13H,2-5,7H2,1H3
InChIKeyRNTHXVFEZSURQT-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylthiophen-3-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606145
1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone
CID 116595850
3-cyclohexyl-1-(5-methylthiophen-3-yl)propan-1-one
CID 114975969
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide
CID 61284018
(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
CID 116547920
7-(2-piperidin-4-ylacetyl)-2,4-dihydro-1H-quinolin-3-one
CID 147364827
1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116559994
1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone
CID 84735384
1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanone
CID 105091941
2-piperidin-4-yl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116559903
1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone
CID 114736371
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 54910487

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone (CID 58514712) is 1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone is Cc1cc(C(=O)CC2CCNCC2)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone?
The InChIKey is RNTHXVFEZSURQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-6-11(8-15-9)12(14)7-10-2-4-13-5-3-10/h6,8,10,13H,2-5,7H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone?
1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone has a molecular weight of 223.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 58514712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).