4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one

C18H17ClN2O2 — CID 24716215

IUPAC4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc(Cl)cc2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-13-17(22)21(16-9-7-15(19)8-10-16)12-11-20(13)18(23)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3
InChIKeyOSROLDIZAAVSRX-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.22
Rot. Bonds2

About 4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one

4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one (PubChem CID 24716215) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
PubChem CID24716215
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc(Cl)cc2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-13-17(22)21(16-9-7-15(19)8-10-16)12-11-20(13)18(23)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3
InChIKeyOSROLDIZAAVSRX-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one (CID 24716215) is 4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one is CC1C(=O)N(c2ccc(Cl)cc2)CCN1C(=O)c1ccccc1.
What is the InChIKey of 4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
The InChIKey is OSROLDIZAAVSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-13-17(22)21(16-9-7-15(19)8-10-16)12-11-20(13)18(23)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3.
What are the key properties of 4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one has a molecular weight of 328.80 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24716215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).