1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione

C12H13ClN2O3 — CID 64967084

IUPAC1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione
SMILESCOc1ccc(Cl)c(N2C(=O)CNC(=O)C2C)c1
InChIInChI=1S/C12H13ClN2O3/c1-7-12(17)14-6-11(16)15(7)10-5-8(18-2)3-4-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,17)
InChIKeyOFAQDWZKNVKXON-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.20
Rot. Bonds2

About 1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione

1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione (PubChem CID 64967084) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione
PubChem CID64967084
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione
SMILESCOc1ccc(Cl)c(N2C(=O)CNC(=O)C2C)c1
InChIInChI=1S/C12H13ClN2O3/c1-7-12(17)14-6-11(16)15(7)10-5-8(18-2)3-4-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,17)
InChIKeyOFAQDWZKNVKXON-UHFFFAOYSA-N
XLogP1.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione (CID 64967084) is 1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione is COc1ccc(Cl)c(N2C(=O)CNC(=O)C2C)c1.
What is the InChIKey of 1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is OFAQDWZKNVKXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-7-12(17)14-6-11(16)15(7)10-5-8(18-2)3-4-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,17).
What are the key properties of 1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione?
1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 268.70 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64967084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).