4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one

C13H15ClN2O2 — CID 64693225

IUPAC4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one
SMILESCC(=O)c1ccc(N2CCN(C)C(=O)C2)c(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c1-9(17)10-3-4-12(11(14)7-10)16-6-5-15(2)13(18)8-16/h3-4,7H,5-6,8H2,1-2H3
InChIKeyWWWUUSXSEULRIK-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.82
Rot. Bonds2

About 4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one

4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one (PubChem CID 64693225) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one
PubChem CID64693225
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one
SMILESCC(=O)c1ccc(N2CCN(C)C(=O)C2)c(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c1-9(17)10-3-4-12(11(14)7-10)16-6-5-15(2)13(18)8-16/h3-4,7H,5-6,8H2,1-2H3
InChIKeyWWWUUSXSEULRIK-UHFFFAOYSA-N
XLogP1.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one (CID 64693225) is 4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one is CC(=O)c1ccc(N2CCN(C)C(=O)C2)c(Cl)c1.
What is the InChIKey of 4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one?
The InChIKey is WWWUUSXSEULRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9(17)10-3-4-12(11(14)7-10)16-6-5-15(2)13(18)8-16/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one?
4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one has a molecular weight of 266.73 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-chlorophenyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64693225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).