[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C17H19Cl2N3O5 — CID 9270751

IUPAC[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H19Cl2N3O5/c1-11(23)21-4-6-22(7-5-21)15(24)10-27-16(25)9-20-17(26)13-3-2-12(18)8-14(13)19/h2-3,8H,4-7,9-10H2,1H3,(H,20,26)
InChIKeyQWEMBASZRGWELR-UHFFFAOYSA-N
MW416.26 g/mol
LogP0.96
Rot. Bonds5

About [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 9270751) has the molecular formula C17H19Cl2N3O5 and a molecular weight of 416.26 g/mol. Its IUPAC name is [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID9270751
Molecular FormulaC17H19Cl2N3O5
Molecular Weight416.26 g/mol
Exact Mass415.07
IUPAC Name[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H19Cl2N3O5/c1-11(23)21-4-6-22(7-5-21)15(24)10-27-16(25)9-20-17(26)13-3-2-12(18)8-14(13)19/h2-3,8H,4-7,9-10H2,1H3,(H,20,26)
InChIKeyQWEMBASZRGWELR-UHFFFAOYSA-N
XLogP0.96
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate with MolForge

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Related Compounds

2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843801
[2-(cyclohexylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843884
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843883
[2-(1-adamantyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 4299627
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843840
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 108570061
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 55399586
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270722
methyl 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817882
[2-(azepan-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 23791825
2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 9270751) is [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is CC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is QWEMBASZRGWELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O5/c1-11(23)21-4-6-22(7-5-21)15(24)10-27-16(25)9-20-17(26)13-3-2-12(18)8-14(13)19/h2-3,8H,4-7,9-10H2,1H3,(H,20,26).
What are the key properties of [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 416.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 9270751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).