(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone

C9H13N3OS — CID 19791267

IUPAC(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
SMILESNN1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C9H13N3OS/c10-12-5-3-11(4-6-12)9(13)8-2-1-7-14-8/h1-2,7H,3-6,10H2
InChIKeyBNNZUVIYCNCVFL-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.38
Rot. Bonds1

About (4-aminopiperazin-1-yl)-thiophen-2-ylmethanone

(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 19791267) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is (4-aminopiperazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
PubChem CID19791267
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
SMILESNN1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C9H13N3OS/c10-12-5-3-11(4-6-12)9(13)8-2-1-7-14-8/h1-2,7H,3-6,10H2
InChIKeyBNNZUVIYCNCVFL-UHFFFAOYSA-N
XLogP0.38
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
[4-(diaminomethylidene)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 8007596
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperazin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-aminopiperazin-1-yl)-thiophen-2-ylmethanone (CID 19791267) is (4-aminopiperazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-aminopiperazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-aminopiperazin-1-yl)-thiophen-2-ylmethanone is NN1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (4-aminopiperazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is BNNZUVIYCNCVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-12-5-3-11(4-6-12)9(13)8-2-1-7-14-8/h1-2,7H,3-6,10H2.
What are the key properties of (4-aminopiperazin-1-yl)-thiophen-2-ylmethanone?
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 211.29 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperazin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 19791267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).