4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione

C13H19N3O2S — CID 66068677

IUPAC4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(c1cccs1)C(C)N
InChIInChI=1S/C13H19N3O2S/c1-3-9-13(18)15-11(17)7-16(9)12(8(2)14)10-5-4-6-19-10/h4-6,8-9,12H,3,7,14H2,1-2H3,(H,15,17,18)
InChIKeyOJXPDJGCXZWEMV-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.87
Rot. Bonds4

About 4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione

4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66068677) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione
PubChem CID66068677
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(c1cccs1)C(C)N
InChIInChI=1S/C13H19N3O2S/c1-3-9-13(18)15-11(17)7-16(9)12(8(2)14)10-5-4-6-19-10/h4-6,8-9,12H,3,7,14H2,1-2H3,(H,15,17,18)
InChIKeyOJXPDJGCXZWEMV-UHFFFAOYSA-N
XLogP0.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068482
4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione
CID 66068681
4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione
CID 66067712
3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione
CID 66068748
4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione
CID 66069633
1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine
CID 55021955
4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione
CID 66067337
4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione
CID 66068683
4-[4-(1-aminoethyl)-3-hydroxyphenyl]-3-ethylpiperazine-2,6-dione
CID 79603828
4-[2-amino-1-(3-methylthiophen-2-yl)propyl]piperazine-2,6-dione
CID 66085243
(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51862509
1-(2-amino-1-thiophen-2-ylpropyl)pyrrolidine-2-carboxamide
CID 55021902

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione (CID 66068677) is 4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(c1cccs1)C(C)N.
What is the InChIKey of 4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is OJXPDJGCXZWEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-9-13(18)15-11(17)7-16(9)12(8(2)14)10-5-4-6-19-10/h4-6,8-9,12H,3,7,14H2,1-2H3,(H,15,17,18).
What are the key properties of 4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione?
4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 281.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66068677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).