(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone

C11H17N2OS+ — CID 6965529

IUPAC(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
SMILESCC[NH+]1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H16N2OS/c1-2-12-5-7-13(8-6-12)11(14)10-4-3-9-15-10/h3-4,9H,2,5-8H2,1H3/p+1
InChIKeyJUGKNURRKFYERN-UHFFFAOYSA-O
MW225.34 g/mol
LogP0.11
Rot. Bonds2

About (4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone

(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone (PubChem CID 6965529) has the molecular formula C11H17N2OS+ and a molecular weight of 225.34 g/mol. Its IUPAC name is (4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
PubChem CID6965529
Molecular FormulaC11H17N2OS+
Molecular Weight225.34 g/mol
Exact Mass225.11
IUPAC Name(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
SMILESCC[NH+]1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H16N2OS/c1-2-12-5-7-13(8-6-12)11(14)10-4-3-9-15-10/h3-4,9H,2,5-8H2,1H3/p+1
InChIKeyJUGKNURRKFYERN-UHFFFAOYSA-O
XLogP0.11
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
[4-(2-phenylethyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 7162031
[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 4744215
N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide
CID 4230629
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(3aS,7aS)-2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9331345
(3aR,7aS)-2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9331329
(3aS,7aR)-2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9331281
(4-methanidyl-1,4-diazepan-4-ium-1-yl)-thiophen-2-ylmethanone
CID 20723386
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone (CID 6965529) is (4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone is CC[NH+]1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone?
The InChIKey is JUGKNURRKFYERN-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16N2OS/c1-2-12-5-7-13(8-6-12)11(14)10-4-3-9-15-10/h3-4,9H,2,5-8H2,1H3/p+1.
What are the key properties of (4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone?
(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone has a molecular weight of 225.34 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 6965529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).