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

C12H17NOS — CID 2891465

IUPAC1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESCC1CCCCN1C(=O)Cc1cccs1
InChIInChI=1S/C12H17NOS/c1-10-5-2-3-7-13(10)12(14)9-11-6-4-8-15-11/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyPJBODDJXBCIVCU-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.69
Rot. Bonds2

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

1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 2891465) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID2891465
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESCC1CCCCN1C(=O)Cc1cccs1
InChIInChI=1S/C12H17NOS/c1-10-5-2-3-7-13(10)12(14)9-11-6-4-8-15-11/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyPJBODDJXBCIVCU-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone (CID 2891465) is 1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone is CC1CCCCN1C(=O)Cc1cccs1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is PJBODDJXBCIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10-5-2-3-7-13(10)12(14)9-11-6-4-8-15-11/h4,6,8,10H,2-3,5,7,9H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone?
1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 223.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 2891465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).