4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one

C24H20Cl2N2O2 — CID 46036538

IUPAC4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H20Cl2N2O2/c1-16-23(29)28(22-10-6-5-9-19(22)17-7-3-2-4-8-17)14-13-27(16)24(30)18-11-12-20(25)21(26)15-18/h2-12,15-16H,13-14H2,1H3
InChIKeyUFOZEHUUUNPKON-UHFFFAOYSA-N
MW439.34 g/mol
LogP5.54
Rot. Bonds3

About 4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one

4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one (PubChem CID 46036538) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is 4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
PubChem CID46036538
Molecular FormulaC24H20Cl2N2O2
Molecular Weight439.34 g/mol
Exact Mass438.09
IUPAC Name4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H20Cl2N2O2/c1-16-23(29)28(22-10-6-5-9-19(22)17-7-3-2-4-8-17)14-13-27(16)24(30)18-11-12-20(25)21(26)15-18/h2-12,15-16H,13-14H2,1H3
InChIKeyUFOZEHUUUNPKON-UHFFFAOYSA-N
XLogP5.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93322176
(3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one
CID 93323612
(3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 93322816
4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 42847436
(3R)-4-(3,4-dichlorobenzoyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93322535
(3S)-4-(3,4-dichlorobenzoyl)-1-(3,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322542
(3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93322313
4-(1,3-benzodioxole-5-carbonyl)-1-(2-chlorophenyl)-3-methylpiperazin-2-one
CID 46036244
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321676
(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 93322917

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
The IUPAC name of 4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one (CID 46036538) is 4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
The canonical SMILES for 4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one is CC1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
The InChIKey is UFOZEHUUUNPKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2/c1-16-23(29)28(22-10-6-5-9-19(22)17-7-3-2-4-8-17)14-13-27(16)24(30)18-11-12-20(25)21(26)15-18/h2-12,15-16H,13-14H2,1H3.
What are the key properties of 4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one has a molecular weight of 439.34 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 46036538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).