1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone

C20H21Cl2N3O2 — CID 55823668

IUPAC1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccccc1
InChIInChI=1S/C20H21Cl2N3O2/c1-23(16-5-3-2-4-6-16)14-19(26)24-9-11-25(12-10-24)20(27)17-8-7-15(21)13-18(17)22/h2-8,13H,9-12,14H2,1H3
InChIKeyPECAXHBAKWDBIR-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.41
Rot. Bonds4

About 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone

1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone (PubChem CID 55823668) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone
PubChem CID55823668
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccccc1
InChIInChI=1S/C20H21Cl2N3O2/c1-23(16-5-3-2-4-6-16)14-19(26)24-9-11-25(12-10-24)20(27)17-8-7-15(21)13-18(17)22/h2-8,13H,9-12,14H2,1H3
InChIKeyPECAXHBAKWDBIR-UHFFFAOYSA-N
XLogP3.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364942
3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 2050573
methyl 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817882
1-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
CID 110799323
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2050578
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 108570061
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110603511
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 132968742
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55682200
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone?
The IUPAC name of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone (CID 55823668) is 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone.
What is the SMILES notation for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone?
The canonical SMILES for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone is CN(CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone?
The InChIKey is PECAXHBAKWDBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c1-23(16-5-3-2-4-6-16)14-19(26)24-9-11-25(12-10-24)20(27)17-8-7-15(21)13-18(17)22/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone?
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone has a molecular weight of 406.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone is sourced from PubChem (CID 55823668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).