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

C24H20Cl2N2O2 — CID 93322816

IUPAC(3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
SMILESC[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl
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)20-12-11-18(25)15-21(20)26/h2-12,15-16H,13-14H2,1H3/t16-/m0/s1
InChIKeyHREQDRSAWRFSID-INIZCTEOSA-N
MW439.34 g/mol
LogP5.54
Rot. Bonds3

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

(3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one (PubChem CID 93322816) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is (3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
PubChem CID93322816
Molecular FormulaC24H20Cl2N2O2
Molecular Weight439.34 g/mol
Exact Mass438.09
IUPAC Name(3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
SMILESC[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl
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)20-12-11-18(25)15-21(20)26/h2-12,15-16H,13-14H2,1H3/t16-/m0/s1
InChIKeyHREQDRSAWRFSID-INIZCTEOSA-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

4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 46036538
(3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one
CID 93322771
4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one
CID 24716325
(3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one
CID 93323612
(3S)-4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322966
4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 46036434
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 42847436
1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 46036548
(3S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93321596
(3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one
CID 95199734
1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036549

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
The IUPAC name of (3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one (CID 93322816) is (3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one.
What is the SMILES notation for (3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
The canonical SMILES for (3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one is C[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
The InChIKey is HREQDRSAWRFSID-INIZCTEOSA-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)20-12-11-18(25)15-21(20)26/h2-12,15-16H,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one?
(3S)-4-(2,4-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 (3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 93322816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).