3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one

C13H17ClN2O2 — CID 82305275

IUPAC3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one
SMILESCOc1cc(C)c(Cl)c(C)c1C1NCCNC1=O
InChIInChI=1S/C13H17ClN2O2/c1-7-6-9(18-3)10(8(2)11(7)14)12-13(17)16-5-4-15-12/h6,12,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyFRZNDIFVXNOADA-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.73
Rot. Bonds2

About 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one

3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one (PubChem CID 82305275) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one.

Molecular Properties

Compound Name3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one
PubChem CID82305275
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one
SMILESCOc1cc(C)c(Cl)c(C)c1C1NCCNC1=O
InChIInChI=1S/C13H17ClN2O2/c1-7-6-9(18-3)10(8(2)11(7)14)12-13(17)16-5-4-15-12/h6,12,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyFRZNDIFVXNOADA-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine
CID 82470889
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine
CID 116829251
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methyloxirane
CID 116863468
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1-methylpiperazine
CID 82305382
3-(2,6-dichlorophenyl)piperazin-2-one
CID 62352120
3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one
CID 82296453
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one
CID 83837131
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291
3-(7-methoxy-1H-indol-3-yl)piperazin-2-one
CID 82622610
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935553

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one?
The IUPAC name of 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one (CID 82305275) is 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one.
What is the SMILES notation for 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one?
The canonical SMILES for 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one is COc1cc(C)c(Cl)c(C)c1C1NCCNC1=O.
What is the InChIKey of 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one?
The InChIKey is FRZNDIFVXNOADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-7-6-9(18-3)10(8(2)11(7)14)12-13(17)16-5-4-15-12/h6,12,15H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one?
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one has a molecular weight of 268.74 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one is sourced from PubChem (CID 82305275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).