2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone

C11H15N3O2S — CID 54873740

IUPAC2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C11H15N3O2S/c12-7-10(15)13-2-4-14(5-3-13)11(16)9-1-6-17-8-9/h1,6,8H,2-5,7,12H2
InChIKeyBFUYYWIHQLZPGR-UHFFFAOYSA-N
MW253.33 g/mol
LogP-0.01
Rot. Bonds2

About 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone

2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 54873740) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID54873740
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C11H15N3O2S/c12-7-10(15)13-2-4-14(5-3-13)11(16)9-1-6-17-8-9/h1,6,8H,2-5,7,12H2
InChIKeyBFUYYWIHQLZPGR-UHFFFAOYSA-N
XLogP-0.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 54873741
4-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]butanoic acid
CID 60948619
2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 65227352
4-(methylamino)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 60962937
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904
(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298879
(2R)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298897
2-[4-(thiophene-3-carbonyl)piperazin-1-yl]propanethioamide
CID 55201014
1-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 137337229
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone (CID 54873740) is 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone is NCC(=O)N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is BFUYYWIHQLZPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-7-10(15)13-2-4-14(5-3-13)11(16)9-1-6-17-8-9/h1,6,8H,2-5,7,12H2.
What are the key properties of 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 253.33 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 54873740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).