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

C16H20Cl2N2O4 — CID 108570061

IUPAC1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H20Cl2N2O4/c1-23-8-9-24-11-15(21)19-4-6-20(7-5-19)16(22)13-3-2-12(17)10-14(13)18/h2-3,10H,4-9,11H2,1H3
InChIKeyVISWMDMPSUUVAM-UHFFFAOYSA-N
MW375.25 g/mol
LogP1.94
Rot. Bonds6

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

1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone (PubChem CID 108570061) has the molecular formula C16H20Cl2N2O4 and a molecular weight of 375.25 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
PubChem CID108570061
Molecular FormulaC16H20Cl2N2O4
Molecular Weight375.25 g/mol
Exact Mass374.08
IUPAC Name1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H20Cl2N2O4/c1-23-8-9-24-11-15(21)19-4-6-20(7-5-19)16(22)13-3-2-12(17)10-14(13)18/h2-3,10H,4-9,11H2,1H3
InChIKeyVISWMDMPSUUVAM-UHFFFAOYSA-N
XLogP1.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 52541764
2,4-dichloro-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108567011
methyl 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817882
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2050578
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 4850064
3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 2050573
1-[4-(2-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 78891868
1-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
CID 110799323
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 55660750
1-[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methoxyethoxy)ethanone
CID 108548062
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 39711810
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110603511

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone (CID 108570061) is 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone?
The InChIKey is VISWMDMPSUUVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O4/c1-23-8-9-24-11-15(21)19-4-6-20(7-5-19)16(22)13-3-2-12(17)10-14(13)18/h2-3,10H,4-9,11H2,1H3.
What are the key properties of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone?
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone has a molecular weight of 375.25 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 108570061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).