1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one

C20H20Cl2N2O4 — CID 46036409

IUPAC1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(Cl)cc2)C(C)C1=O
InChIInChI=1S/C20H20Cl2N2O4/c1-13-20(26)24(17-11-15(22)5-8-18(17)27-2)10-9-23(13)19(25)12-28-16-6-3-14(21)4-7-16/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyNXTHMKQACYEWPF-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.64
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one

1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one (PubChem CID 46036409) has the molecular formula C20H20Cl2N2O4 and a molecular weight of 423.30 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one
PubChem CID46036409
Molecular FormulaC20H20Cl2N2O4
Molecular Weight423.30 g/mol
Exact Mass422.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(Cl)cc2)C(C)C1=O
InChIInChI=1S/C20H20Cl2N2O4/c1-13-20(26)24(17-11-15(22)5-8-18(17)27-2)10-9-23(13)19(25)12-28-16-6-3-14(21)4-7-16/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyNXTHMKQACYEWPF-UHFFFAOYSA-N
XLogP3.64
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93323379
(3R)-1-(5-chloro-2-methoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 93322109
(3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 93323367
4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethylphenyl)-3-methylpiperazin-2-one
CID 46036394
(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
1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24715908
1-(2,4-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716164
1-(3,5-dimethoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716731
1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036549
(3S)-1-(5-chloro-2-methylphenyl)-4-(3,3-dimethylbutanoyl)-3-methylpiperazin-2-one
CID 93292612
1-(5-chloro-2-methylphenyl)-4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-2-one
CID 46036357

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one (CID 46036409) is 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one is COc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(Cl)cc2)C(C)C1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one?
The InChIKey is NXTHMKQACYEWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4/c1-13-20(26)24(17-11-15(22)5-8-18(17)27-2)10-9-23(13)19(25)12-28-16-6-3-14(21)4-7-16/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one?
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one has a molecular weight of 423.30 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 46036409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).