(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one

C19H18Cl2N2O2 — CID 93322917

IUPAC(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cl)cc2)[C@H](C)C1=O
InChIInChI=1S/C19H18Cl2N2O2/c1-12-3-6-16(21)11-17(12)23-10-9-22(13(2)18(23)24)19(25)14-4-7-15(20)8-5-14/h3-8,11,13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyAYZPICGNOZXJIU-CYBMUJFWSA-N
MW377.27 g/mol
LogP4.18
Rot. Bonds2

About (3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one

(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one (PubChem CID 93322917) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is (3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one
PubChem CID93322917
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cl)cc2)[C@H](C)C1=O
InChIInChI=1S/C19H18Cl2N2O2/c1-12-3-6-16(21)11-17(12)23-10-9-22(13(2)18(23)24)19(25)14-4-7-15(20)8-5-14/h3-8,11,13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyAYZPICGNOZXJIU-CYBMUJFWSA-N
XLogP4.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(5-chloro-2-methylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93322209
1-(5-chloro-2-methylphenyl)-4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-2-one
CID 46036357
(3S)-1-(4-chloro-2-methylphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93323347
(3R)-1-(4-chlorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321834
4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 24715930
(3S)-1-(5-chloro-2-methylphenyl)-4-(3,3-dimethylbutanoyl)-3-methylpiperazin-2-one
CID 93292612
4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one
CID 42847343
1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036549
(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93322176
(3R)-1-(2,4-dichlorophenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 93322651
(3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 93322933
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one (CID 93322917) is (3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one is Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cl)cc2)[C@H](C)C1=O.
What is the InChIKey of (3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one?
The InChIKey is AYZPICGNOZXJIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-12-3-6-16(21)11-17(12)23-10-9-22(13(2)18(23)24)19(25)14-4-7-15(20)8-5-14/h3-8,11,13H,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one?
(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one has a molecular weight of 377.27 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93322917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).