1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione

C13H15ClN2O3 — CID 107623473

IUPAC1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCOc1cc(N2C(=O)C(C)NC(=O)C2C)ccc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-7-13(18)16(8(2)12(17)15-7)9-4-5-10(14)11(6-9)19-3/h4-8H,1-3H3,(H,15,17)
InChIKeyDJRRDZJGEULMJY-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.59
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione

1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 107623473) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID107623473
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCOc1cc(N2C(=O)C(C)NC(=O)C2C)ccc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-7-13(18)16(8(2)12(17)15-7)9-4-5-10(14)11(6-9)19-3/h4-8H,1-3H3,(H,15,17)
InChIKeyDJRRDZJGEULMJY-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione (CID 107623473) is 1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione is COc1cc(N2C(=O)C(C)NC(=O)C2C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is DJRRDZJGEULMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-7-13(18)16(8(2)12(17)15-7)9-4-5-10(14)11(6-9)19-3/h4-8H,1-3H3,(H,15,17).
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione?
1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 282.73 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 107623473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).