1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone

C13H21N3OS — CID 55022240

IUPAC1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(c2cccs2)C(C)N)CC1
InChIInChI=1S/C13H21N3OS/c1-10(14)13(12-4-3-9-18-12)16-7-5-15(6-8-16)11(2)17/h3-4,9-10,13H,5-8,14H2,1-2H3
InChIKeyNPHHYGKMDHXPOD-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.30
Rot. Bonds3

About 1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone

1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone (PubChem CID 55022240) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone
PubChem CID55022240
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(c2cccs2)C(C)N)CC1
InChIInChI=1S/C13H21N3OS/c1-10(14)13(12-4-3-9-18-12)16-7-5-15(6-8-16)11(2)17/h3-4,9-10,13H,5-8,14H2,1-2H3
InChIKeyNPHHYGKMDHXPOD-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-amino-1-thiophen-2-ylpropyl)piperazine-1-carboxylate
CID 104933493
(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51862509
(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51613857
N-(1-acetylpiperidin-4-yl)-2-amino-2-thiophen-2-ylacetamide
CID 115286367
2-methyl-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 92665812
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine
CID 62886596
2-methyl-N-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 92665810
1-(2-amino-1-thiophen-2-ylpropyl)pyrrolidine-2-carboxamide
CID 55021902
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 92665868
1-[4-(2-amino-2-thiophen-2-ylacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 115286671
1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021852

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone (CID 55022240) is 1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(c2cccs2)C(C)N)CC1.
What is the InChIKey of 1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone?
The InChIKey is NPHHYGKMDHXPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10(14)13(12-4-3-9-18-12)16-7-5-15(6-8-16)11(2)17/h3-4,9-10,13H,5-8,14H2,1-2H3.
What are the key properties of 1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone?
1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone has a molecular weight of 267.40 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55022240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).