1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione

C11H10Cl2N2O2 — CID 64875034

IUPAC1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione
SMILESO=C1CN(Cc2c(Cl)cccc2Cl)C(=O)CN1
InChIInChI=1S/C11H10Cl2N2O2/c12-8-2-1-3-9(13)7(8)5-15-6-10(16)14-4-11(15)17/h1-3H,4-6H2,(H,14,16)
InChIKeyLJRXZVOOFBYZQH-UHFFFAOYSA-N
MW273.12 g/mol
LogP1.45
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione

1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione (PubChem CID 64875034) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione
PubChem CID64875034
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione
SMILESO=C1CN(Cc2c(Cl)cccc2Cl)C(=O)CN1
InChIInChI=1S/C11H10Cl2N2O2/c12-8-2-1-3-9(13)7(8)5-15-6-10(16)14-4-11(15)17/h1-3H,4-6H2,(H,14,16)
InChIKeyLJRXZVOOFBYZQH-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione (CID 64875034) is 1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione is O=C1CN(Cc2c(Cl)cccc2Cl)C(=O)CN1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione?
The InChIKey is LJRXZVOOFBYZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c12-8-2-1-3-9(13)7(8)5-15-6-10(16)14-4-11(15)17/h1-3H,4-6H2,(H,14,16).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione?
1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione has a molecular weight of 273.12 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64875034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).