(2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

C20H22ClN3O2 — CID 93114804

IUPAC(2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3cccc(Cl)c3)[C@H](C)C2=O)c1C
InChIInChI=1S/C20H22ClN3O2/c1-13-6-4-9-18(14(13)2)24-11-10-23(15(3)19(24)25)20(26)22-17-8-5-7-16(21)12-17/h4-9,12,15H,10-11H2,1-3H3,(H,22,26)/t15-/m1/s1
InChIKeyRIZJGAJVSIAFPU-OAHLLOKOSA-N
MW371.87 g/mol
LogP4.23
Rot. Bonds2

About (2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide

(2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 93114804) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID93114804
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name(2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3cccc(Cl)c3)[C@H](C)C2=O)c1C
InChIInChI=1S/C20H22ClN3O2/c1-13-6-4-9-18(14(13)2)24-11-10-23(15(3)19(24)25)20(26)22-17-8-5-7-16(21)12-17/h4-9,12,15H,10-11H2,1-3H3,(H,22,26)/t15-/m1/s1
InChIKeyRIZJGAJVSIAFPU-OAHLLOKOSA-N
XLogP4.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93322041
N-(3-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 46036574
(2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93114427
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93323237
1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716226
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292626
1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718943
4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 24716399
4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 143925494
(2S)-N-(3-chlorophenyl)-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 44612250
[2-(3-chloroanilino)-2-oxoethyl] (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 41138532
(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 27159268

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide (CID 93114804) is (2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)Nc3cccc(Cl)c3)[C@H](C)C2=O)c1C.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is RIZJGAJVSIAFPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-13-6-4-9-18(14(13)2)24-11-10-23(15(3)19(24)25)20(26)22-17-8-5-7-16(21)12-17/h4-9,12,15H,10-11H2,1-3H3,(H,22,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
(2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 93114804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).