2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone

C12H17NOS — CID 5081224

IUPAC2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone
SMILESCC1CCN(CC(=O)c2cccs2)CC1
InChIInChI=1S/C12H17NOS/c1-10-4-6-13(7-5-10)9-11(14)12-3-2-8-15-12/h2-3,8,10H,4-7,9H2,1H3
InChIKeyAXIKEYHTGHVOHD-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.66
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone

2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone (PubChem CID 5081224) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone
PubChem CID5081224
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone
SMILESCC1CCN(CC(=O)c2cccs2)CC1
InChIInChI=1S/C12H17NOS/c1-10-4-6-13(7-5-10)9-11(14)12-3-2-8-15-12/h2-3,8,10H,4-7,9H2,1H3
InChIKeyAXIKEYHTGHVOHD-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone (CID 5081224) is 2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone is CC1CCN(CC(=O)c2cccs2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone?
The InChIKey is AXIKEYHTGHVOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10-4-6-13(7-5-10)9-11(14)12-3-2-8-15-12/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone?
2-(4-methylpiperidin-1-yl)-1-thiophen-2-ylethanone has a molecular weight of 223.34 g/mol, XLogP of 2.66, 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-thiophen-2-ylethanone is sourced from PubChem (CID 5081224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).