2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone

C14H21NOS — CID 55039892

IUPAC2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCCC(C)C2C)s1
InChIInChI=1S/C14H21NOS/c1-10-5-4-8-15(12(10)3)9-13(16)14-7-6-11(2)17-14/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyWPHDVSZVRPROKZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.36
Rot. Bonds3

About 2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone

2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 55039892) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID55039892
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCCC(C)C2C)s1
InChIInChI=1S/C14H21NOS/c1-10-5-4-8-15(12(10)3)9-13(16)14-7-6-11(2)17-14/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyWPHDVSZVRPROKZ-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone (CID 55039892) is 2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CN2CCCC(C)C2C)s1.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is WPHDVSZVRPROKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-5-4-8-15(12(10)3)9-13(16)14-7-6-11(2)17-14/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 251.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 55039892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).