2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone

C16H26N4OS — CID 83979348

IUPAC2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone
SMILESCC1CN(C(C(=O)N2CCN(C)CC2)c2cccs2)CCN1
InChIInChI=1S/C16H26N4OS/c1-13-12-20(6-5-17-13)15(14-4-3-11-22-14)16(21)19-9-7-18(2)8-10-19/h3-4,11,13,15,17H,5-10,12H2,1-2H3
InChIKeySCCKJLWWCRGDDN-UHFFFAOYSA-N
MW322.48 g/mol
LogP0.86
Rot. Bonds3

About 2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone

2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 83979348) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone
PubChem CID83979348
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone
SMILESCC1CN(C(C(=O)N2CCN(C)CC2)c2cccs2)CCN1
InChIInChI=1S/C16H26N4OS/c1-13-12-20(6-5-17-13)15(14-4-3-11-22-14)16(21)19-9-7-18(2)8-10-19/h3-4,11,13,15,17H,5-10,12H2,1-2H3
InChIKeySCCKJLWWCRGDDN-UHFFFAOYSA-N
XLogP0.86
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone with MolForge

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Related Compounds

2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 83979359
1-(azepan-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 83979472
1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 83979467
2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979355
1-(3-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-2-phenylethanone
CID 119579647
1-(azepan-1-yl)-2-piperazin-1-yl-2-thiophen-2-ylethanone
CID 83979370
1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine
CID 65417458
2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979354
1-(azepan-1-yl)-2-(3-methylpiperazin-1-yl)-2-pyridin-2-ylethanone
CID 83980147
2-(3-methylpiperazin-1-yl)-2-pyridin-2-ylacetic acid
CID 83980090
2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid
CID 83979331
1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol
CID 83979406

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone (CID 83979348) is 2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone is CC1CN(C(C(=O)N2CCN(C)CC2)c2cccs2)CCN1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is SCCKJLWWCRGDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-13-12-20(6-5-17-13)15(14-4-3-11-22-14)16(21)19-9-7-18(2)8-10-19/h3-4,11,13,15,17H,5-10,12H2,1-2H3.
What are the key properties of 2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone?
2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 322.48 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 83979348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).