6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one

C20H24N2O2S — CID 10473483

IUPAC6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESCOc1ccccc1N1CCN(CC2CC(=O)c3ccsc3C2)CC1
InChIInChI=1S/C20H24N2O2S/c1-24-19-5-3-2-4-17(19)22-9-7-21(8-10-22)14-15-12-18(23)16-6-11-25-20(16)13-15/h2-6,11,15H,7-10,12-14H2,1H3
InChIKeyGFOUFGCPXBMGCF-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.32
Rot. Bonds4

About 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one

6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one (PubChem CID 10473483) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one.

Molecular Properties

Compound Name6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one
PubChem CID10473483
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESCOc1ccccc1N1CCN(CC2CC(=O)c3ccsc3C2)CC1
InChIInChI=1S/C20H24N2O2S/c1-24-19-5-3-2-4-17(19)22-9-7-21(8-10-22)14-15-12-18(23)16-6-11-25-20(16)13-15/h2-6,11,15H,7-10,12-14H2,1H3
InChIKeyGFOUFGCPXBMGCF-UHFFFAOYSA-N
XLogP3.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one?
The IUPAC name of 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one (CID 10473483) is 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one.
What is the SMILES notation for 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one?
The canonical SMILES for 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one is COc1ccccc1N1CCN(CC2CC(=O)c3ccsc3C2)CC1.
What is the InChIKey of 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one?
The InChIKey is GFOUFGCPXBMGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-24-19-5-3-2-4-17(19)22-9-7-21(8-10-22)14-15-12-18(23)16-6-11-25-20(16)13-15/h2-6,11,15H,7-10,12-14H2,1H3.
What are the key properties of 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one?
6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one has a molecular weight of 356.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one is sourced from PubChem (CID 10473483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).