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

C18H22N2O2S — CID 124948906

IUPAC1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@H]1CN(Cc2cccs2)CCN1C(C)=O
InChIInChI=1S/C18H22N2O2S/c1-14(21)20-10-9-19(12-15-6-5-11-23-15)13-17(20)16-7-3-4-8-18(16)22-2/h3-8,11,17H,9-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyCQBDWVDNHNBQSB-QGZVFWFLSA-N
MW330.45 g/mol
LogP3.16
Rot. Bonds4

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

1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 124948906) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID124948906
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@H]1CN(Cc2cccs2)CCN1C(C)=O
InChIInChI=1S/C18H22N2O2S/c1-14(21)20-10-9-19(12-15-6-5-11-23-15)13-17(20)16-7-3-4-8-18(16)22-2/h3-8,11,17H,9-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyCQBDWVDNHNBQSB-QGZVFWFLSA-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-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 110109685
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-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124955238
1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 124948692
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293165
N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 124988688
2-[(3S)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 124991590
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
N-[[4-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 42870331
1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 124947831
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one;hydrochloride
CID 120733635

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (CID 124948906) is 1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is COc1ccccc1[C@H]1CN(Cc2cccs2)CCN1C(C)=O.
What is the InChIKey of 1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is CQBDWVDNHNBQSB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14(21)20-10-9-19(12-15-6-5-11-23-15)13-17(20)16-7-3-4-8-18(16)22-2/h3-8,11,17H,9-10,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-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-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 124948906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).