2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone

C20H24N2O2 — CID 9153668

IUPAC2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-16-6-3-4-9-19(16)21-10-12-22(13-11-21)20(23)15-17-7-5-8-18(14-17)24-2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyHLRBMKMGAWLSBA-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.89
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone

2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 9153668) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
PubChem CID9153668
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-16-6-3-4-9-19(16)21-10-12-22(13-11-21)20(23)15-17-7-5-8-18(14-17)24-2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyHLRBMKMGAWLSBA-UHFFFAOYSA-N
XLogP2.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 8910906
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
2-(3-methoxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 4878382
1-[4-(2-methylphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 112766387
3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9152898
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 55851491
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346964
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate
CID 134032771

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone (CID 9153668) is 2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone is COc1cccc(CC(=O)N2CCN(c3ccccc3C)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is HLRBMKMGAWLSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-6-3-4-9-19(16)21-10-12-22(13-11-21)20(23)15-17-7-5-8-18(14-17)24-2/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone?
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 9153668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).