4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one

C20H24N2O2 — CID 24716569

IUPAC4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCOc1ccc(CN2CCN(c3ccccc3C)C(=O)C2C)cc1
InChIInChI=1S/C20H24N2O2/c1-15-6-4-5-7-19(15)22-13-12-21(16(2)20(22)23)14-17-8-10-18(24-3)11-9-17/h4-11,16H,12-14H2,1-3H3
InChIKeyJBKALHLWMQXOBC-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.24
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one

4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one (PubChem CID 24716569) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
PubChem CID24716569
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCOc1ccc(CN2CCN(c3ccccc3C)C(=O)C2C)cc1
InChIInChI=1S/C20H24N2O2/c1-15-6-4-5-7-19(15)22-13-12-21(16(2)20(22)23)14-17-8-10-18(24-3)11-9-17/h4-11,16H,12-14H2,1-3H3
InChIKeyJBKALHLWMQXOBC-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one (CID 24716569) is 4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one is COc1ccc(CN2CCN(c3ccccc3C)C(=O)C2C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is JBKALHLWMQXOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-6-4-5-7-19(15)22-13-12-21(16(2)20(22)23)14-17-8-10-18(24-3)11-9-17/h4-11,16H,12-14H2,1-3H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one?
4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 324.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 24716569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).