1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone

C20H24ClN3O — CID 109004339

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone
SMILESCCc1ccc(NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24ClN3O/c1-2-16-6-8-18(9-7-16)22-15-20(25)24-12-10-23(11-13-24)19-5-3-4-17(21)14-19/h3-9,14,22H,2,10-13,15H2,1H3
InChIKeyKRWGKEBTXRYFIF-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.66
Rot. Bonds5

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone (PubChem CID 109004339) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone
PubChem CID109004339
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone
SMILESCCc1ccc(NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24ClN3O/c1-2-16-6-8-18(9-7-16)22-15-20(25)24-12-10-23(11-13-24)19-5-3-4-17(21)14-19/h3-9,14,22H,2,10-13,15H2,1H3
InChIKeyKRWGKEBTXRYFIF-UHFFFAOYSA-N
XLogP3.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
2-(3-chloro-4-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004043
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluoroanilino)ethanone
CID 109004385
2-(4-ethylanilino)-1-piperidin-1-ylethanone
CID 28583235
2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004436
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
2-(3-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004018

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone (CID 109004339) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone is CCc1ccc(NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone?
The InChIKey is KRWGKEBTXRYFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-2-16-6-8-18(9-7-16)22-15-20(25)24-12-10-23(11-13-24)19-5-3-4-17(21)14-19/h3-9,14,22H,2,10-13,15H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone has a molecular weight of 357.89 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone is sourced from PubChem (CID 109004339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).