4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione

C12H10Cl2N2O4 — CID 66083921

IUPAC4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione
SMILESCOc1c(Cl)cc(C(=O)N2CC(=O)NC(=O)C2)cc1Cl
InChIInChI=1S/C12H10Cl2N2O4/c1-20-11-7(13)2-6(3-8(11)14)12(19)16-4-9(17)15-10(18)5-16/h2-3H,4-5H2,1H3,(H,15,17,18)
InChIKeyFORVPWMSUVCDJU-UHFFFAOYSA-N
MW317.13 g/mol
LogP1.10
Rot. Bonds2

About 4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione

4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione (PubChem CID 66083921) has the molecular formula C12H10Cl2N2O4 and a molecular weight of 317.13 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione
PubChem CID66083921
Molecular FormulaC12H10Cl2N2O4
Molecular Weight317.13 g/mol
Exact Mass316.00
IUPAC Name4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione
SMILESCOc1c(Cl)cc(C(=O)N2CC(=O)NC(=O)C2)cc1Cl
InChIInChI=1S/C12H10Cl2N2O4/c1-20-11-7(13)2-6(3-8(11)14)12(19)16-4-9(17)15-10(18)5-16/h2-3H,4-5H2,1H3,(H,15,17,18)
InChIKeyFORVPWMSUVCDJU-UHFFFAOYSA-N
XLogP1.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione?
The IUPAC name of 4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione (CID 66083921) is 4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione is COc1c(Cl)cc(C(=O)N2CC(=O)NC(=O)C2)cc1Cl.
What is the InChIKey of 4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione?
The InChIKey is FORVPWMSUVCDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O4/c1-20-11-7(13)2-6(3-8(11)14)12(19)16-4-9(17)15-10(18)5-16/h2-3H,4-5H2,1H3,(H,15,17,18).
What are the key properties of 4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione?
4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione has a molecular weight of 317.13 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-methoxybenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 66083921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).