1-piperazin-1-yl-2-thiophen-2-ylethanone

C10H14N2OS — CID 16769420

IUPAC1-piperazin-1-yl-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCNCC1
InChIInChI=1S/C10H14N2OS/c13-10(8-9-2-1-7-14-9)12-5-3-11-4-6-12/h1-2,7,11H,3-6,8H2
InChIKeyAUXTYMAGGGUJIT-UHFFFAOYSA-N
MW210.30 g/mol
LogP0.72
Rot. Bonds2

About 1-piperazin-1-yl-2-thiophen-2-ylethanone

1-piperazin-1-yl-2-thiophen-2-ylethanone (PubChem CID 16769420) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-thiophen-2-ylethanone
PubChem CID16769420
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-piperazin-1-yl-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCNCC1
InChIInChI=1S/C10H14N2OS/c13-10(8-9-2-1-7-14-9)12-5-3-11-4-6-12/h1-2,7,11H,3-6,8H2
InChIKeyAUXTYMAGGGUJIT-UHFFFAOYSA-N
XLogP0.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-thiophen-2-ylethanone?
The IUPAC name of 1-piperazin-1-yl-2-thiophen-2-ylethanone (CID 16769420) is 1-piperazin-1-yl-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-thiophen-2-ylethanone?
The canonical SMILES for 1-piperazin-1-yl-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-thiophen-2-ylethanone?
The InChIKey is AUXTYMAGGGUJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-10(8-9-2-1-7-14-9)12-5-3-11-4-6-12/h1-2,7,11H,3-6,8H2.
What are the key properties of 1-piperazin-1-yl-2-thiophen-2-ylethanone?
1-piperazin-1-yl-2-thiophen-2-ylethanone has a molecular weight of 210.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-thiophen-2-ylethanone is sourced from PubChem (CID 16769420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).