1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one

C19H18Cl2N2O3 — CID 46036549

IUPAC1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)C(=O)C2C)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-12-18(24)23(17-8-5-14(20)11-16(17)21)10-9-22(12)19(25)13-3-6-15(26-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyPYWGLAGAKRKVDF-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.88
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one

1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one (PubChem CID 46036549) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
PubChem CID46036549
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)C(=O)C2C)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-12-18(24)23(17-8-5-14(20)11-16(17)21)10-9-22(12)19(25)13-3-6-15(26-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyPYWGLAGAKRKVDF-UHFFFAOYSA-N
XLogP3.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one 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

(3R)-1-(2,4-dichlorophenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 93322651
1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036453
1-(5-chloro-2-methylphenyl)-4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-2-one
CID 46036357
(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
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
(3S)-1-(4-chloro-2-methylphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93323347
(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 93322917
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 46036548
(3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one
CID 93292659
(3S)-4-(3,4-dichlorobenzoyl)-1-(3,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322542

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one (CID 46036549) is 1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one is COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)C(=O)C2C)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one?
The InChIKey is PYWGLAGAKRKVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-12-18(24)23(17-8-5-14(20)11-16(17)21)10-9-22(12)19(25)13-3-6-15(26-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one?
1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one has a molecular weight of 393.27 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46036549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).