N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide

C17H20N4O2S — CID 113011235

IUPACN-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cccs3)cn2)CC1
InChIInChI=1S/C17H20N4O2S/c1-13(22)20-6-8-21(9-7-20)16-5-4-14(12-18-16)19-17(23)11-15-3-2-10-24-15/h2-5,10,12H,6-9,11H2,1H3,(H,19,23)
InChIKeyKVOKLLSUJLQRJW-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.99
Rot. Bonds4

About N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide

N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113011235) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113011235
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3cccs3)cn2)CC1
InChIInChI=1S/C17H20N4O2S/c1-13(22)20-6-8-21(9-7-20)16-5-4-14(12-18-16)19-17(23)11-15-3-2-10-24-15/h2-5,10,12H,6-9,11H2,1H3,(H,19,23)
InChIKeyKVOKLLSUJLQRJW-UHFFFAOYSA-N
XLogP1.99
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 46042185
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
CID 113011285
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011252
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010070
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-2-ylpropanamide
CID 51958831
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46157200
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 39911925
2-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78772449

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide (CID 113011235) is N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3cccs3)cn2)CC1.
What is the InChIKey of N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is KVOKLLSUJLQRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13(22)20-6-8-21(9-7-20)16-5-4-14(12-18-16)19-17(23)11-15-3-2-10-24-15/h2-5,10,12H,6-9,11H2,1H3,(H,19,23).
What are the key properties of N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide?
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 344.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113011235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).