1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone

C12H17NOS — CID 116569506

IUPAC1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone
SMILESCC1(C(=O)Cc2ccsc2)CCCNC1
InChIInChI=1S/C12H17NOS/c1-12(4-2-5-13-9-12)11(14)7-10-3-6-15-8-10/h3,6,8,13H,2,4-5,7,9H2,1H3
InChIKeyAEZGACCKPTXFIK-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.25
Rot. Bonds3

About 1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone

1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone (PubChem CID 116569506) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone
PubChem CID116569506
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone
SMILESCC1(C(=O)Cc2ccsc2)CCCNC1
InChIInChI=1S/C12H17NOS/c1-12(4-2-5-13-9-12)11(14)7-10-3-6-15-8-10/h3,6,8,13H,2,4-5,7,9H2,1H3
InChIKeyAEZGACCKPTXFIK-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone (CID 116569506) is 1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone is CC1(C(=O)Cc2ccsc2)CCCNC1.
What is the InChIKey of 1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone?
The InChIKey is AEZGACCKPTXFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-12(4-2-5-13-9-12)11(14)7-10-3-6-15-8-10/h3,6,8,13H,2,4-5,7,9H2,1H3.
What are the key properties of 1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone?
1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone has a molecular weight of 223.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 116569506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).