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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Related Compounds

3-benzyl-1-(2,4-dimethylphenyl)-7-ethyl-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493666
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one
CID 117006699
4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one;hydrochloride
CID 23141601
4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-1-(3,5-dimethylphenyl)piperazin-2-one
CID 124754176
2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline
CID 91672089
1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one
CID 69235175
4-[[3-(2-aminoethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)piperazin-2-one
CID 56913986
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[4-(2-methylphenyl)-3-oxopiperazin-1-yl]methyl]phenyl]urea;hydrochloride
CID 69457959
(3S)-3-(4-benzylpiperazin-1-yl)-1-(2-bromo-4-methylphenyl)pyrrolidine-2,5-dione
CID 51621006
(3S)-3-benzylsulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 867781
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

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).