2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile

C14H19N3OS — CID 63337816

IUPAC2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C14H19N3OS/c1-2-13(10-15)16-4-6-17(7-5-16)14(18)9-12-3-8-19-11-12/h3,8,11,13H,2,4-7,9H2,1H3
InChIKeyYHUAFNHLAUGTST-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.74
Rot. Bonds4

About 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile

2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile (PubChem CID 63337816) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile
PubChem CID63337816
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C14H19N3OS/c1-2-13(10-15)16-4-6-17(7-5-16)14(18)9-12-3-8-19-11-12/h3,8,11,13H,2,4-7,9H2,1H3
InChIKeyYHUAFNHLAUGTST-UHFFFAOYSA-N
XLogP1.74
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile
CID 63337850
2-[4-[2-(3-bromophenyl)acetyl]piperazin-1-yl]butanenitrile
CID 63337820
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanethioamide
CID 63339604
2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]butanenitrile
CID 63337599
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]butanenitrile
CID 63337903
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide
CID 61129944
2-[4-(2-phenoxyacetyl)piperazin-1-yl]butanenitrile
CID 63337514
2-(4-pentanoylpiperazin-1-yl)butanenitrile
CID 63337468
2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 95345615
2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
CID 86793513

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile (CID 63337816) is 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile?
The InChIKey is YHUAFNHLAUGTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-13(10-15)16-4-6-17(7-5-16)14(18)9-12-3-8-19-11-12/h3,8,11,13H,2,4-7,9H2,1H3.
What are the key properties of 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile?
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile has a molecular weight of 277.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 63337816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).