N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide

C17H27N3O2S — CID 134043866

IUPACN-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)CCc2ccsc2)CC1
InChIInChI=1S/C17H27N3O2S/c1-3-14(2)18-16(21)12-19-7-9-20(10-8-19)17(22)5-4-15-6-11-23-13-15/h6,11,13-14H,3-5,7-10,12H2,1-2H3,(H,18,21)
InChIKeyBQSQHTGWJSUCFK-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.74
Rot. Bonds7

About N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 134043866) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide
PubChem CID134043866
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)CCc2ccsc2)CC1
InChIInChI=1S/C17H27N3O2S/c1-3-14(2)18-16(21)12-19-7-9-20(10-8-19)17(22)5-4-15-6-11-23-13-15/h6,11,13-14H,3-5,7-10,12H2,1-2H3,(H,18,21)
InChIKeyBQSQHTGWJSUCFK-UHFFFAOYSA-N
XLogP1.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 95345615
N-butan-2-yl-2-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
CID 134043855
N-butan-2-yl-2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 134043909
N-butan-2-yl-2-[4-[3-(5-phenylfuran-2-yl)propanoyl]piperazin-1-yl]acetamide
CID 134043788
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 55460883
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide
CID 47081322
N-butan-2-yl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043706
N-butan-2-yl-2-[4-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperazin-1-yl]acetamide
CID 55563654
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide
CID 134043894
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 47058308
4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 79200562

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide (CID 134043866) is N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(C(=O)CCc2ccsc2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is BQSQHTGWJSUCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-3-14(2)18-16(21)12-19-7-9-20(10-8-19)17(22)5-4-15-6-11-23-13-15/h6,11,13-14H,3-5,7-10,12H2,1-2H3,(H,18,21).
What are the key properties of N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 337.49 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 134043866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).