1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone

C18H22N2O2S — CID 110293165

IUPAC1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCOc1ccccc1C1CN(C(=O)Cc2cccs2)CCN1C
InChIInChI=1S/C18H22N2O2S/c1-19-9-10-20(18(21)12-14-6-5-11-23-14)13-16(19)15-7-3-4-8-17(15)22-2/h3-8,11,16H,9-10,12-13H2,1-2H3
InChIKeyIEYMMHGNACMECX-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.81
Rot. Bonds4

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

1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 110293165) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID110293165
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCOc1ccccc1C1CN(C(=O)Cc2cccs2)CCN1C
InChIInChI=1S/C18H22N2O2S/c1-19-9-10-20(18(21)12-14-6-5-11-23-14)13-16(19)15-7-3-4-8-17(15)22-2/h3-8,11,16H,9-10,12-13H2,1-2H3
InChIKeyIEYMMHGNACMECX-UHFFFAOYSA-N
XLogP2.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293046
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110631963
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110631942
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 110098353
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
1-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124998291
2-(3,4-dimethoxyphenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364994

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone (CID 110293165) is 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone is COc1ccccc1C1CN(C(=O)Cc2cccs2)CCN1C.
What is the InChIKey of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is IEYMMHGNACMECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-19-9-10-20(18(21)12-14-6-5-11-23-14)13-16(19)15-7-3-4-8-17(15)22-2/h3-8,11,16H,9-10,12-13H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone?
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 330.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110293165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).