2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone

C20H24N2O — CID 7595587

IUPAC2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H24N2O/c1-16-8-9-18(17(2)14-16)15-20(23)22-12-10-21(11-13-22)19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3
InChIKeyBYHXUOGGJRMZLT-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.19
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 7595587) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID7595587
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H24N2O/c1-16-8-9-18(17(2)14-16)15-20(23)22-12-10-21(11-13-22)19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3
InChIKeyBYHXUOGGJRMZLT-UHFFFAOYSA-N
XLogP3.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)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-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 95970810
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 95971117
(2S)-3-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 100551898
3-(2,4-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027051
1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 2709723
1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 113079434
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
1-(3-methylphenyl)-3-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
CID 1057979
1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 7597081
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4-dimethylphenyl)ethanone
CID 110809402
3-(4-methylphenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2265194

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 7595587) is 2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone is Cc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is BYHXUOGGJRMZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-8-9-18(17(2)14-16)15-20(23)22-12-10-21(11-13-22)19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 308.43 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 7595587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).