1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one

C25H26N2O — CID 162409538

IUPAC1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(C2C(=O)N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C25H26N2O/c1-20-12-14-23(15-13-20)24-25(28)27(19-22-10-6-3-7-11-22)17-16-26(24)18-21-8-4-2-5-9-21/h2-15,24H,16-19H2,1H3
InChIKeyJXUMSZTWYOYTLU-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.58
Rot. Bonds5

About 1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one

1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one (PubChem CID 162409538) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one
PubChem CID162409538
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(C2C(=O)N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C25H26N2O/c1-20-12-14-23(15-13-20)24-25(28)27(19-22-10-6-3-7-11-22)17-16-26(24)18-21-8-4-2-5-9-21/h2-15,24H,16-19H2,1H3
InChIKeyJXUMSZTWYOYTLU-UHFFFAOYSA-N
XLogP4.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one (CID 162409538) is 1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one is Cc1ccc(C2C(=O)N(Cc3ccccc3)CCN2Cc2ccccc2)cc1.
What is the InChIKey of 1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one?
The InChIKey is JXUMSZTWYOYTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-20-12-14-23(15-13-20)24-25(28)27(19-22-10-6-3-7-11-22)17-16-26(24)18-21-8-4-2-5-9-21/h2-15,24H,16-19H2,1H3.
What are the key properties of 1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one?
1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one has a molecular weight of 370.50 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzyl-3-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 162409538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).