4-(4-ethylphenyl)piperazin-2-one

C12H16N2O — CID 117005105

IUPAC4-(4-ethylphenyl)piperazin-2-one
SMILESCCc1ccc(N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H16N2O/c1-2-10-3-5-11(6-4-10)14-8-7-13-12(15)9-14/h3-6H,2,7-9H2,1H3,(H,13,15)
InChIKeyZCVMKFULROYFBK-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.19
Rot. Bonds2

About 4-(4-ethylphenyl)piperazin-2-one

4-(4-ethylphenyl)piperazin-2-one (PubChem CID 117005105) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(4-ethylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-ethylphenyl)piperazin-2-one
PubChem CID117005105
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(4-ethylphenyl)piperazin-2-one
SMILESCCc1ccc(N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H16N2O/c1-2-10-3-5-11(6-4-10)14-8-7-13-12(15)9-14/h3-6H,2,7-9H2,1H3,(H,13,15)
InChIKeyZCVMKFULROYFBK-UHFFFAOYSA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-aminoethyl)phenyl]piperazin-2-one
CID 83822156
4-[4-[(propan-2-ylamino)methyl]phenyl]piperazin-2-one
CID 43281162
1-benzyl-2-methyl-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]guanidine
CID 110954064
1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea
CID 51083442
4-(4-ethoxyphenyl)-1,4-diazepan-2-one
CID 117005292
(2S)-2-acetamido-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide
CID 95766756
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038
2-benzyl-1-ethyl-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]guanidine
CID 110954066
N',3,3-trimethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111739401
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]guanidine
CID 111182203
1-(2-ethoxyethyl)-3-ethyl-2-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]guanidine
CID 111894873
1-ethyl-3-(3-methylbutyl)-2-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]guanidine
CID 110978665

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)piperazin-2-one?
The IUPAC name of 4-(4-ethylphenyl)piperazin-2-one (CID 117005105) is 4-(4-ethylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-ethylphenyl)piperazin-2-one?
The canonical SMILES for 4-(4-ethylphenyl)piperazin-2-one is CCc1ccc(N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)piperazin-2-one?
The InChIKey is ZCVMKFULROYFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-10-3-5-11(6-4-10)14-8-7-13-12(15)9-14/h3-6H,2,7-9H2,1H3,(H,13,15).
What are the key properties of 4-(4-ethylphenyl)piperazin-2-one?
4-(4-ethylphenyl)piperazin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)piperazin-2-one is sourced from PubChem (CID 117005105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).