3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one

C18H22N2O2S — CID 10616442

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one
SMILESCOc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
InChIInChI=1S/C18H22N2O2S/c1-22-18-5-3-2-4-16(18)20-11-9-19(10-12-20)8-6-17(21)15-7-13-23-14-15/h2-5,7,13-14H,6,8-12H2,1H3
InChIKeyREUOHKJICOUHLG-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.15
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one (PubChem CID 10616442) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one
PubChem CID10616442
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one
SMILESCOc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
InChIInChI=1S/C18H22N2O2S/c1-22-18-5-3-2-4-16(18)20-11-9-19(10-12-20)8-6-17(21)15-7-13-23-14-15/h2-5,7,13-14H,6,8-12H2,1H3
InChIKeyREUOHKJICOUHLG-UHFFFAOYSA-N
XLogP3.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one (CID 10616442) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one is COc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one?
The InChIKey is REUOHKJICOUHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-18-5-3-2-4-16(18)20-11-9-19(10-12-20)8-6-17(21)15-7-13-23-14-15/h2-5,7,13-14H,6,8-12H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one has a molecular weight of 330.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 10616442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).