1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone

C19H20N2OS — CID 170861445

IUPAC1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2ccc3sc4ccccc4c3c2)CC1
InChIInChI=1S/C19H20N2OS/c1-20-8-10-21(11-9-20)13-17(22)14-6-7-19-16(12-14)15-4-2-3-5-18(15)23-19/h2-7,12H,8-11,13H2,1H3
InChIKeyHQMTVCIVJAPPBA-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.48
Rot. Bonds3

About 1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone

1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861445) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861445
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2ccc3sc4ccccc4c3c2)CC1
InChIInChI=1S/C19H20N2OS/c1-20-8-10-21(11-9-20)13-17(22)14-6-7-19-16(12-14)15-4-2-3-5-18(15)23-19/h2-7,12H,8-11,13H2,1H3
InChIKeyHQMTVCIVJAPPBA-UHFFFAOYSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone
CID 170895942
3-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 170861612
2-methyl-5-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 82052175
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
2-(4-methylpiperazin-1-yl)-1-(4-phenylsulfanylphenyl)ethanone;dihydrochloride
CID 44723853
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862154
4-dibenzothiophen-2-yl-4-oxobutanoic acid;3,5-difluorobenzoic acid
CID 157463004
1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862084
2-(4-methyl-1,4-diazepan-1-yl)-1-(3-methylphenyl)ethanone
CID 43794788
1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861605
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride
CID 170862215

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone (CID 170861445) is 1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)c2ccc3sc4ccccc4c3c2)CC1.
What is the InChIKey of 1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is HQMTVCIVJAPPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-20-8-10-21(11-9-20)13-17(22)14-6-7-19-16(12-14)15-4-2-3-5-18(15)23-19/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone?
1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 324.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-2-yl-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).