1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone

C18H22N2O2S — CID 170861149

IUPAC1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2ccc(C(=O)CN3CCN(C)CC3)s2)cc1
InChIInChI=1S/C18H22N2O2S/c1-19-9-11-20(12-10-19)13-16(21)18-8-7-17(23-18)14-3-5-15(22-2)6-4-14/h3-8H,9-13H2,1-2H3
InChIKeyQHJBCYPMOCUFMZ-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.85
Rot. Bonds5

About 1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone

1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861149) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861149
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2ccc(C(=O)CN3CCN(C)CC3)s2)cc1
InChIInChI=1S/C18H22N2O2S/c1-19-9-11-20(12-10-19)13-16(21)18-8-7-17(23-18)14-3-5-15(22-2)6-4-14/h3-8H,9-13H2,1-2H3
InChIKeyQHJBCYPMOCUFMZ-UHFFFAOYSA-N
XLogP2.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862095
1-[5-(2-aminophenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861162
1-(5-bromothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51363090
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone
CID 90861887
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014
1-(5-chlorothiophen-2-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 43228349
1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193900
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642
1-[5-(4-ethenylphenyl)thiophen-2-yl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 19596431

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone (CID 170861149) is 1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone is COc1ccc(-c2ccc(C(=O)CN3CCN(C)CC3)s2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is QHJBCYPMOCUFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-19-9-11-20(12-10-19)13-16(21)18-8-7-17(23-18)14-3-5-15(22-2)6-4-14/h3-8H,9-13H2,1-2H3.
What are the key properties of 1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 330.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).