1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one

C11H15NOS — CID 83639401

IUPAC1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one
SMILESCN1CCC(=O)CC1(C)c1cccs1
InChIInChI=1S/C11H15NOS/c1-11(10-4-3-7-14-10)8-9(13)5-6-12(11)2/h3-4,7H,5-6,8H2,1-2H3
InChIKeyCKUNCFCZSVTBJY-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.26
Rot. Bonds1

About 1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one

1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one (PubChem CID 83639401) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one.

Molecular Properties

Compound Name1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one
PubChem CID83639401
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one
SMILESCN1CCC(=O)CC1(C)c1cccs1
InChIInChI=1S/C11H15NOS/c1-11(10-4-3-7-14-10)8-9(13)5-6-12(11)2/h3-4,7H,5-6,8H2,1-2H3
InChIKeyCKUNCFCZSVTBJY-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one?
The IUPAC name of 1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one (CID 83639401) is 1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one.
What is the SMILES notation for 1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one?
The canonical SMILES for 1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one is CN1CCC(=O)CC1(C)c1cccs1.
What is the InChIKey of 1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one?
The InChIKey is CKUNCFCZSVTBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-11(10-4-3-7-14-10)8-9(13)5-6-12(11)2/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one?
1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one has a molecular weight of 209.31 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one is sourced from PubChem (CID 83639401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).