4-(4-chlorophenyl)-1-ethylpiperazin-2-one

C12H15ClN2O — CID 117013599

IUPAC4-(4-chlorophenyl)-1-ethylpiperazin-2-one
SMILESCCN1CCN(c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C12H15ClN2O/c1-2-14-7-8-15(9-12(14)16)11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeyVQJDXOSFAQYYGI-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.01
Rot. Bonds2

About 4-(4-chlorophenyl)-1-ethylpiperazin-2-one

4-(4-chlorophenyl)-1-ethylpiperazin-2-one (PubChem CID 117013599) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-ethylpiperazin-2-one
PubChem CID117013599
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-(4-chlorophenyl)-1-ethylpiperazin-2-one
SMILESCCN1CCN(c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C12H15ClN2O/c1-2-14-7-8-15(9-12(14)16)11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeyVQJDXOSFAQYYGI-UHFFFAOYSA-N
XLogP2.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethyl-3-oxopiperazin-1-yl)benzonitrile
CID 117013635
1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one
CID 117013590
1-(4-chlorophenyl)-3-ethylimidazolidine-2,4-dione
CID 60837616
2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetic acid
CID 18321661
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-ethyl-1,4-diazepan-5-one
CID 26274840
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 118727897
1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one
CID 102279125
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
CID 117013569
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
4-(3,5-dichlorophenyl)-1-methylpiperazin-2-one
CID 117005230
4-(4-chlorophenyl)-1,1-diethylpiperazin-1-ium
CID 127039294

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-ethylpiperazin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-1-ethylpiperazin-2-one (CID 117013599) is 4-(4-chlorophenyl)-1-ethylpiperazin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-ethylpiperazin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-ethylpiperazin-2-one is CCN1CCN(c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 4-(4-chlorophenyl)-1-ethylpiperazin-2-one?
The InChIKey is VQJDXOSFAQYYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-14-7-8-15(9-12(14)16)11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-ethylpiperazin-2-one?
4-(4-chlorophenyl)-1-ethylpiperazin-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-ethylpiperazin-2-one is sourced from PubChem (CID 117013599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).