1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

C18H22N2O2S — CID 110109685

IUPAC1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CN(Cc2ccsc2)CCN1C(C)=O
InChIInChI=1S/C18H22N2O2S/c1-14(21)20-9-8-19(11-15-7-10-23-13-15)12-17(20)16-5-3-4-6-18(16)22-2/h3-7,10,13,17H,8-9,11-12H2,1-2H3
InChIKeyXJHRPDBCCULJND-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.16
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 110109685) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID110109685
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C1CN(Cc2ccsc2)CCN1C(C)=O
InChIInChI=1S/C18H22N2O2S/c1-14(21)20-9-8-19(11-15-7-10-23-13-15)12-17(20)16-5-3-4-6-18(16)22-2/h3-7,10,13,17H,8-9,11-12H2,1-2H3
InChIKeyXJHRPDBCCULJND-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 124948906
1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124955238
1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124977259
1-[2-(2-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 110098246
1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 124948692
1-[(3aR,7aS)-3a-phenyl-6-(thiophen-3-ylmethyl)-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-1-yl]ethanone
CID 97381124
N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 124988688
1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 124947831
1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110109313
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 17417237
2-[(3S)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 124991590
(6R)-6-(2-methoxyphenyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 124973235

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (CID 110109685) is 1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is COc1ccccc1C1CN(Cc2ccsc2)CCN1C(C)=O.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is XJHRPDBCCULJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14(21)20-9-8-19(11-15-7-10-23-13-15)12-17(20)16-5-3-4-6-18(16)22-2/h3-7,10,13,17H,8-9,11-12H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 330.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110109685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).