2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone

C16H24N2OS — CID 63633578

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCCC1CN(CC(=O)c2ccc(SC)cc2)CCN1C
InChIInChI=1S/C16H24N2OS/c1-4-14-11-18(10-9-17(14)2)12-16(19)13-5-7-15(20-3)8-6-13/h5-8,14H,4,9-12H2,1-3H3
InChIKeyQXRZPMRHAUYVMK-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.62
Rot. Bonds5

About 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone

2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 63633578) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID63633578
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCCC1CN(CC(=O)c2ccc(SC)cc2)CCN1C
InChIInChI=1S/C16H24N2OS/c1-4-14-11-18(10-9-17(14)2)12-16(19)13-5-7-15(20-3)8-6-13/h5-8,14H,4,9-12H2,1-3H3
InChIKeyQXRZPMRHAUYVMK-UHFFFAOYSA-N
XLogP2.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone
CID 63633398
2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 43227541
2-(2-methyl-1,4-oxazepan-4-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 62974882
2-(3,4-dimethylpiperazin-1-yl)-1-(4-hydroxyphenyl)ethanone
CID 63608714
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 63634796
1-(4-methylsulfanylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62993989
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 102960399
2-(1,3-dihydroisoindol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 62206768
1-(2,5-dichlorothiophen-3-yl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanone
CID 63634616
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzoic acid
CID 114485539
2-(4-ethylpiperazin-1-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 93193093
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(4-methylsulfanylphenyl)ethanone
CID 114777499

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone (CID 63633578) is 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone is CCC1CN(CC(=O)c2ccc(SC)cc2)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is QXRZPMRHAUYVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-14-11-18(10-9-17(14)2)12-16(19)13-5-7-15(20-3)8-6-13/h5-8,14H,4,9-12H2,1-3H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone?
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 292.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 63633578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).