2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C13H19N3O2S — CID 27067923

IUPAC2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)NCc2cccs2)CC1
InChIInChI=1S/C13H19N3O2S/c1-11(17)16-6-4-15(5-7-16)10-13(18)14-9-12-3-2-8-19-12/h2-3,8H,4-7,9-10H2,1H3,(H,14,18)
InChIKeyXERQUJXASYXASQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.53
Rot. Bonds4

About 2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 27067923) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID27067923
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)NCc2cccs2)CC1
InChIInChI=1S/C13H19N3O2S/c1-11(17)16-6-4-15(5-7-16)10-13(18)14-9-12-3-2-8-19-12/h2-3,8H,4-7,9-10H2,1H3,(H,14,18)
InChIKeyXERQUJXASYXASQ-UHFFFAOYSA-N
XLogP0.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 27067923) is 2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is CC(=O)N1CCN(CC(=O)NCc2cccs2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XERQUJXASYXASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-11(17)16-6-4-15(5-7-16)10-13(18)14-9-12-3-2-8-19-12/h2-3,8H,4-7,9-10H2,1H3,(H,14,18).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 281.38 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 27067923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).