1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone

C20H24N2O — CID 170862084

IUPAC1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc(-c2cccc(C(=O)CN3CCN(C)CC3)c2)cc1
InChIInChI=1S/C20H24N2O/c1-16-6-8-17(9-7-16)18-4-3-5-19(14-18)20(23)15-22-12-10-21(2)11-13-22/h3-9,14H,10-13,15H2,1-2H3
InChIKeyXRDVTNWRGBCVAZ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.09
Rot. Bonds4

About 1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone

1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170862084) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170862084
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc(-c2cccc(C(=O)CN3CCN(C)CC3)c2)cc1
InChIInChI=1S/C20H24N2O/c1-16-6-8-17(9-7-16)18-4-3-5-19(14-18)20(23)15-22-12-10-21(2)11-13-22/h3-9,14H,10-13,15H2,1-2H3
InChIKeyXRDVTNWRGBCVAZ-UHFFFAOYSA-N
XLogP3.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862095
3-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 170861612
2-(4-methyl-1,4-diazepan-1-yl)-1-(3-methylphenyl)ethanone
CID 43794788
2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride
CID 170862215
2-methyl-5-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 82052175
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-(3-methylphenyl)ethanone
CID 107223640
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861605
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
CID 70325548

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone (CID 170862084) is 1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone is Cc1ccc(-c2cccc(C(=O)CN3CCN(C)CC3)c2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is XRDVTNWRGBCVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-6-8-17(9-7-16)18-4-3-5-19(14-18)20(23)15-22-12-10-21(2)11-13-22/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone?
1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 308.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170862084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).