4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one

C13H15ClN2O3 — CID 60680385

IUPAC4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
SMILESCOc1ccc(C(=O)CN2CCNC(=O)C2)cc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-19-12-3-2-9(6-10(12)14)11(17)7-16-5-4-15-13(18)8-16/h2-3,6H,4-5,7-8H2,1H3,(H,15,18)
InChIKeySYQBWDRSWBQEBR-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.96
Rot. Bonds4

About 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one

4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one (PubChem CID 60680385) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
PubChem CID60680385
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
SMILESCOc1ccc(C(=O)CN2CCNC(=O)C2)cc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-19-12-3-2-9(6-10(12)14)11(17)7-16-5-4-15-13(18)8-16/h2-3,6H,4-5,7-8H2,1H3,(H,15,18)
InChIKeySYQBWDRSWBQEBR-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63608368
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680436
4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one
CID 62052117
1-(3-chloro-4-methoxyphenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63025553
1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
CID 95468407
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 60680435
4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one
CID 8548890
1-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione
CID 62928596
4-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366237
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1,4-diazepan-5-one
CID 63003974

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one (CID 60680385) is 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one is COc1ccc(C(=O)CN2CCNC(=O)C2)cc1Cl.
What is the InChIKey of 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one?
The InChIKey is SYQBWDRSWBQEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-19-12-3-2-9(6-10(12)14)11(17)7-16-5-4-15-13(18)8-16/h2-3,6H,4-5,7-8H2,1H3,(H,15,18).
What are the key properties of 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one?
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one has a molecular weight of 282.73 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 60680385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).