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

C14H20N2OS — CID 110771209

IUPAC1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(CC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N2OS/c1-15-7-9-16(10-8-15)14(17)11-12-3-5-13(18-2)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyAQDROGUKUPKSMP-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.73
Rot. Bonds3

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

1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone (PubChem CID 110771209) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
PubChem CID110771209
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(CC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N2OS/c1-15-7-9-16(10-8-15)14(17)11-12-3-5-13(18-2)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyAQDROGUKUPKSMP-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771210
1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-one
CID 82486070
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
methyl 4-[2-(4-methylsulfanylphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808896
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 110771273
N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide
CID 110813116
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 158497459
1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 56907458
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-phenylphenyl)ethanone
CID 17167239
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769100

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone (CID 110771209) is 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone is CSc1ccc(CC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone?
The InChIKey is AQDROGUKUPKSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-15-7-9-16(10-8-15)14(17)11-12-3-5-13(18-2)6-4-12/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone?
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone has a molecular weight of 264.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 110771209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).