4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one

C11H11Cl2N3O2 — CID 114918581

IUPAC4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc(Cl)ncc2Cl)CC1=O
InChIInChI=1S/C11H11Cl2N3O2/c1-15-2-3-16(6-10(15)17)11(18)7-4-9(13)14-5-8(7)12/h4-5H,2-3,6H2,1H3
InChIKeyCPPLYOIOILSEFW-UHFFFAOYSA-N
MW288.13 g/mol
LogP1.30
Rot. Bonds1

About 4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one

4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one (PubChem CID 114918581) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one
PubChem CID114918581
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc(Cl)ncc2Cl)CC1=O
InChIInChI=1S/C11H11Cl2N3O2/c1-15-2-3-16(6-10(15)17)11(18)7-4-9(13)14-5-8(7)12/h4-5H,2-3,6H2,1H3
InChIKeyCPPLYOIOILSEFW-UHFFFAOYSA-N
XLogP1.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one (CID 114918581) is 4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)c2cc(Cl)ncc2Cl)CC1=O.
What is the InChIKey of 4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one?
The InChIKey is CPPLYOIOILSEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c1-15-2-3-16(6-10(15)17)11(18)7-4-9(13)14-5-8(7)12/h4-5H,2-3,6H2,1H3.
What are the key properties of 4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one?
4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one has a molecular weight of 288.13 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 114918581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).