1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone

C17H21N3OS — CID 70787649

IUPAC1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1cc(N2CCN(C(=O)Cc3cccs3)CC2)cc(C)n1
InChIInChI=1S/C17H21N3OS/c1-13-10-15(11-14(2)18-13)19-5-7-20(8-6-19)17(21)12-16-4-3-9-22-16/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeyQCCFQMBJPZMVIA-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.65
Rot. Bonds3

About 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 70787649) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID70787649
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1cc(N2CCN(C(=O)Cc3cccs3)CC2)cc(C)n1
InChIInChI=1S/C17H21N3OS/c1-13-10-15(11-14(2)18-13)19-5-7-20(8-6-19)17(21)12-16-4-3-9-22-16/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeyQCCFQMBJPZMVIA-UHFFFAOYSA-N
XLogP2.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 91892385
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124975903
2-thiophen-2-yl-1-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110802602
1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 154581669
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
3,3-dimethyl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butan-1-one
CID 110818286
2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone
CID 70735508
1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113004944
1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110396012
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 42111036

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 70787649) is 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone is Cc1cc(N2CCN(C(=O)Cc3cccs3)CC2)cc(C)n1.
What is the InChIKey of 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is QCCFQMBJPZMVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-10-15(11-14(2)18-13)19-5-7-20(8-6-19)17(21)12-16-4-3-9-22-16/h3-4,9-11H,5-8,12H2,1-2H3.
What are the key properties of 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 315.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 70787649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).