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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Related Compounds

Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-piperidin-2-one
CID 18738385
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-pyrrolidin-2-one
CID 18738386
3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylsulfanyl}-3H-thieno[2,3-d]pyrimidin-4-one
CID 10646351
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
Azepan-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
CID 45262082
2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-2,3,4,5-tetrahydro-7-(2-thienyl)benzo[c]azepin-1-one
CID 54581964
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155560516
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 10473483
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 10809188

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).