(3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one

C20H20Cl2N2O2 — CID 93322771

IUPAC(3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one
SMILESCc1cc(C)cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@H](C)C2=O)c1
InChIInChI=1S/C20H20Cl2N2O2/c1-12-8-13(2)10-16(9-12)24-7-6-23(14(3)19(24)25)20(26)17-5-4-15(21)11-18(17)22/h4-5,8-11,14H,6-7H2,1-3H3/t14-/m1/s1
InChIKeyCMBKNTGRNGSDNY-CQSZACIVSA-N
MW391.30 g/mol
LogP4.49
Rot. Bonds2

About (3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one

(3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one (PubChem CID 93322771) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is (3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one
PubChem CID93322771
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name(3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one
SMILESCc1cc(C)cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@H](C)C2=O)c1
InChIInChI=1S/C20H20Cl2N2O2/c1-12-8-13(2)10-16(9-12)24-7-6-23(14(3)19(24)25)20(26)17-5-4-15(21)11-18(17)22/h4-5,8-11,14H,6-7H2,1-3H3/t14-/m1/s1
InChIKeyCMBKNTGRNGSDNY-CQSZACIVSA-N
XLogP4.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 93322816
(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)-1-(3,5-dimethylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93292634
4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one
CID 42847343
(3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93321473
(3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97135197
(3R)-1-(4-chlorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321834
4-(2-chlorobenzoyl)-1-(3-fluorophenyl)-3-methylpiperazin-2-one
CID 24716622
3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one
CID 24716351
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
(3S)-1-(4-chloro-2-methylphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93323347

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one (CID 93322771) is (3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one is Cc1cc(C)cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@H](C)C2=O)c1.
What is the InChIKey of (3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one?
The InChIKey is CMBKNTGRNGSDNY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-12-8-13(2)10-16(9-12)24-7-6-23(14(3)19(24)25)20(26)17-5-4-15(21)11-18(17)22/h4-5,8-11,14H,6-7H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one?
(3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one has a molecular weight of 391.30 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93322771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).