4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one

C19H19ClN2O2 — CID 42847343

IUPAC4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)C(C)C2=O)c1
InChIInChI=1S/C19H19ClN2O2/c1-13-4-3-5-17(12-13)22-11-10-21(14(2)18(22)23)19(24)15-6-8-16(20)9-7-15/h3-9,12,14H,10-11H2,1-2H3
InChIKeyBMJUAYWRDLFERS-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.53
Rot. Bonds2

About 4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one

4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one (PubChem CID 42847343) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one
PubChem CID42847343
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)C(C)C2=O)c1
InChIInChI=1S/C19H19ClN2O2/c1-13-4-3-5-17(12-13)22-11-10-21(14(2)18(22)23)19(24)15-6-8-16(20)9-7-15/h3-9,12,14H,10-11H2,1-2H3
InChIKeyBMJUAYWRDLFERS-UHFFFAOYSA-N
XLogP3.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
(3R)-1-(4-chlorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321834
(3S)-3-methyl-1-(3-methylphenyl)-4-(4-nitrobenzoyl)piperazin-2-one
CID 93290707
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one
CID 24716351
(3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 93322933
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 93322917
(3R)-4-benzoyl-1-(3-chloro-4-fluorophenyl)-3-methylpiperazin-2-one
CID 93322159
(3S)-1-(3-chloro-4-fluorophenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93322724
3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 46036208
(3S)-1-(3,5-dimethylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93292634

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one (CID 42847343) is 4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one is Cc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)C(C)C2=O)c1.
What is the InChIKey of 4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one?
The InChIKey is BMJUAYWRDLFERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13-4-3-5-17(12-13)22-11-10-21(14(2)18(22)23)19(24)15-6-8-16(20)9-7-15/h3-9,12,14H,10-11H2,1-2H3.
What are the key properties of 4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one?
4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one has a molecular weight of 342.83 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one is sourced from PubChem (CID 42847343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).