4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one

C21H23ClN2O3 — CID 46036394

IUPAC4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(C)c(N2CCN(C(=O)COc3ccc(Cl)cc3)C(C)C2=O)c1
InChIInChI=1S/C21H23ClN2O3/c1-14-4-5-15(2)19(12-14)24-11-10-23(16(3)21(24)26)20(25)13-27-18-8-6-17(22)7-9-18/h4-9,12,16H,10-11,13H2,1-3H3
InChIKeyVNAQOKUFENZJRZ-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.60
Rot. Bonds4

About 4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one

4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one (PubChem CID 46036394) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one
PubChem CID46036394
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(C)c(N2CCN(C(=O)COc3ccc(Cl)cc3)C(C)C2=O)c1
InChIInChI=1S/C21H23ClN2O3/c1-14-4-5-15(2)19(12-14)24-11-10-23(16(3)21(24)26)20(25)13-27-18-8-6-17(22)7-9-18/h4-9,12,16H,10-11,13H2,1-3H3
InChIKeyVNAQOKUFENZJRZ-UHFFFAOYSA-N
XLogP3.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one
CID 46036409
(3R)-4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93323379
(3S)-1-(5-chloro-2-methylphenyl)-4-(3,3-dimethylbutanoyl)-3-methylpiperazin-2-one
CID 93292612
(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 93322917
(3R)-1-(5-chloro-2-methoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 93322109
4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 24715930
4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716597
1-(5-chloro-2-methylphenyl)-4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-2-one
CID 46036357
1-(2-fluoro-5-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036097
4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
CID 24715869
(3R)-1-(5-chloro-2-methylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93322209
4-(2-fluoro-5-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847448

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one (CID 46036394) is 4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one is Cc1ccc(C)c(N2CCN(C(=O)COc3ccc(Cl)cc3)C(C)C2=O)c1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one?
The InChIKey is VNAQOKUFENZJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14-4-5-15(2)19(12-14)24-11-10-23(16(3)21(24)26)20(25)13-27-18-8-6-17(22)7-9-18/h4-9,12,16H,10-11,13H2,1-3H3.
What are the key properties of 4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one?
4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one has a molecular weight of 386.88 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46036394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).