1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone

C15H18N2OS — CID 120570146

IUPAC1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2csc3ccccc23)C1C
InChIInChI=1S/C15H18N2OS/c1-10-11(2)17(8-7-16-10)15(18)13-9-19-14-6-4-3-5-12(13)14/h3-6,9-11,16H,7-8H2,1-2H3
InChIKeyHZYMFVXKWCPJMQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.72
Rot. Bonds1

About 1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone

1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120570146) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID120570146
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2csc3ccccc23)C1C
InChIInChI=1S/C15H18N2OS/c1-10-11(2)17(8-7-16-10)15(18)13-9-19-14-6-4-3-5-12(13)14/h3-6,9-11,16H,7-8H2,1-2H3
InChIKeyHZYMFVXKWCPJMQ-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone (CID 120570146) is 1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone is CC1NCCN(C(=O)c2csc3ccccc23)C1C.
What is the InChIKey of 1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is HZYMFVXKWCPJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-11(2)17(8-7-16-10)15(18)13-9-19-14-6-4-3-5-12(13)14/h3-6,9-11,16H,7-8H2,1-2H3.
What are the key properties of 1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone?
1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120570146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).