1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone

C15H18N2OS — CID 71877088

IUPAC1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H18N2OS/c1-11-10-16(2)7-8-17(11)15(18)14-9-12-5-3-4-6-13(12)19-14/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyCTKCXUFNNLTDEQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.68
Rot. Bonds1

About 1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone

1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone (PubChem CID 71877088) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone
PubChem CID71877088
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H18N2OS/c1-11-10-16(2)7-8-17(11)15(18)14-9-12-5-3-4-6-13(12)19-14/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyCTKCXUFNNLTDEQ-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone (CID 71877088) is 1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone is CC1CN(C)CCN1C(=O)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is CTKCXUFNNLTDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-10-16(2)7-8-17(11)15(18)14-9-12-5-3-4-6-13(12)19-14/h3-6,9,11H,7-8,10H2,1-2H3.
What are the key properties of 1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone?
1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 71877088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).