4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one

C19H22N2O — CID 6487972

IUPAC4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(Cc3ccccc3)CC2=O)c(C)c1
InChIInChI=1S/C19H22N2O/c1-15-8-9-18(16(2)12-15)21-11-10-20(14-19(21)22)13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyMHNAILGYVMKDHA-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.15
Rot. Bonds3

About 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one

4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one (PubChem CID 6487972) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one
PubChem CID6487972
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(Cc3ccccc3)CC2=O)c(C)c1
InChIInChI=1S/C19H22N2O/c1-15-8-9-18(16(2)12-15)21-11-10-20(14-19(21)22)13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyMHNAILGYVMKDHA-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one?
The IUPAC name of 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one (CID 6487972) is 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one.
What is the SMILES notation for 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one?
The canonical SMILES for 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one is Cc1ccc(N2CCN(Cc3ccccc3)CC2=O)c(C)c1.
What is the InChIKey of 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one?
The InChIKey is MHNAILGYVMKDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-8-9-18(16(2)12-15)21-11-10-20(14-19(21)22)13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3.
What are the key properties of 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one?
4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one has a molecular weight of 294.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one is sourced from PubChem (CID 6487972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).