2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone

C12H18N2O2 — CID 82509435

IUPAC2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone
SMILESCCc1ccc(CC(=O)N2CCNCC2)o1
InChIInChI=1S/C12H18N2O2/c1-2-10-3-4-11(16-10)9-12(15)14-7-5-13-6-8-14/h3-4,13H,2,5-9H2,1H3
InChIKeyIWYXMIINQJRMFL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.82
Rot. Bonds3

About 2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone

2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone (PubChem CID 82509435) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone
PubChem CID82509435
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone
SMILESCCc1ccc(CC(=O)N2CCNCC2)o1
InChIInChI=1S/C12H18N2O2/c1-2-10-3-4-11(16-10)9-12(15)14-7-5-13-6-8-14/h3-4,13H,2,5-9H2,1H3
InChIKeyIWYXMIINQJRMFL-UHFFFAOYSA-N
XLogP0.82
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 62346739
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489
2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone
CID 82264272
4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83929402
2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82090895
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone
CID 82508040
2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone
CID 82130418
2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone
CID 22104765

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone (CID 82509435) is 2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone is CCc1ccc(CC(=O)N2CCNCC2)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone?
The InChIKey is IWYXMIINQJRMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-10-3-4-11(16-10)9-12(15)14-7-5-13-6-8-14/h3-4,13H,2,5-9H2,1H3.
What are the key properties of 2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone?
2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone has a molecular weight of 222.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82509435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).