1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one

C16H21ClN2O4 — CID 70755323

IUPAC1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one
SMILESCOCCOCC(=O)N1CC(=O)N(c2ccc(Cl)cc2)CC1C
InChIInChI=1S/C16H21ClN2O4/c1-12-9-19(14-5-3-13(17)4-6-14)15(20)10-18(12)16(21)11-23-8-7-22-2/h3-6,12H,7-11H2,1-2H3
InChIKeyXIHHOSNAARWUCY-UHFFFAOYSA-N
MW340.81 g/mol
LogP1.57
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one

1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one (PubChem CID 70755323) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one
PubChem CID70755323
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one
SMILESCOCCOCC(=O)N1CC(=O)N(c2ccc(Cl)cc2)CC1C
InChIInChI=1S/C16H21ClN2O4/c1-12-9-19(14-5-3-13(17)4-6-14)15(20)10-18(12)16(21)11-23-8-7-22-2/h3-6,12H,7-11H2,1-2H3
InChIKeyXIHHOSNAARWUCY-UHFFFAOYSA-N
XLogP1.57
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.57
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

3-[2-[(2R)-4-(4-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 96579942
(5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
CID 96581194
1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 70763084
1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 70775777
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970
(5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one
CID 96578164
(5S)-5-butyl-1-(4-chlorophenyl)-4-(3-hydroxypropanoyl)piperazin-2-one
CID 96572867
(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97133156
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
(5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one
CID 126451438
(5S)-5-methyl-1-(4-methylphenyl)-4-(2-propylsulfanylacetyl)piperazin-2-one
CID 96580243
1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one
CID 70729577

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one (CID 70755323) is 1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one is COCCOCC(=O)N1CC(=O)N(c2ccc(Cl)cc2)CC1C.
What is the InChIKey of 1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one?
The InChIKey is XIHHOSNAARWUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-12-9-19(14-5-3-13(17)4-6-14)15(20)10-18(12)16(21)11-23-8-7-22-2/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one?
1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one has a molecular weight of 340.81 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one is sourced from PubChem (CID 70755323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).