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

C13H17N3OS — CID 63337850

IUPAC2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C13H17N3OS/c1-11(9-14)15-3-5-16(6-4-15)13(17)8-12-2-7-18-10-12/h2,7,10-11H,3-6,8H2,1H3
InChIKeyQNQVXPIVWNWXJT-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.35
Rot. Bonds3

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

2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile (PubChem CID 63337850) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile
PubChem CID63337850
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C13H17N3OS/c1-11(9-14)15-3-5-16(6-4-15)13(17)8-12-2-7-18-10-12/h2,7,10-11H,3-6,8H2,1H3
InChIKeyQNQVXPIVWNWXJT-UHFFFAOYSA-N
XLogP1.35
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile
CID 63337816
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanethioamide
CID 63339604
2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile
CID 63337328
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide
CID 61129944
2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
CID 86793513
2-[4-(4-ethylbenzoyl)piperazin-1-yl]propanenitrile
CID 63337287
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 121200714
1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone
CID 136527078
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone
CID 112803904
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853
1-[4-(3-aminophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 43461699

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile (CID 63337850) is 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile is CC(C#N)N1CCN(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile?
The InChIKey is QNQVXPIVWNWXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-11(9-14)15-3-5-16(6-4-15)13(17)8-12-2-7-18-10-12/h2,7,10-11H,3-6,8H2,1H3.
What are the key properties of 2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile?
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile has a molecular weight of 263.37 g/mol, XLogP of 1.35, 3 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]propanenitrile is sourced from PubChem (CID 63337850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).