1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone

C20H20N2OS — CID 25236632

IUPAC1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2csc3ccccc23)CC1
InChIInChI=1S/C20H20N2OS/c1-15-6-2-4-8-18(15)21-10-12-22(13-11-21)20(23)17-14-24-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3
InChIKeyDIEIOJULIFHIJD-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.17
Rot. Bonds2

About 1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone

1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 25236632) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID25236632
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2csc3ccccc23)CC1
InChIInChI=1S/C20H20N2OS/c1-15-6-2-4-8-18(15)21-10-12-22(13-11-21)20(23)17-14-24-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3
InChIKeyDIEIOJULIFHIJD-UHFFFAOYSA-N
XLogP4.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932774
1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17191275
1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 2933523
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 1223722
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319
2-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]propanenitrile
CID 63337420
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 106685645
(3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 60778169
1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 154738823
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 25236632) is 1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2csc3ccccc23)CC1.
What is the InChIKey of 1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is DIEIOJULIFHIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-15-6-2-4-8-18(15)21-10-12-22(13-11-21)20(23)17-14-24-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone?
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 336.46 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 25236632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).