3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one

C15H22N2O — CID 63601928

IUPAC3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one
SMILESCCc1ccc(CN2CCNC(CC)C2=O)cc1
InChIInChI=1S/C15H22N2O/c1-3-12-5-7-13(8-6-12)11-17-10-9-16-14(4-2)15(17)18/h5-8,14,16H,3-4,9-11H2,1-2H3
InChIKeyHJJUCUPPEYCBBA-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.96
Rot. Bonds4

About 3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one

3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one (PubChem CID 63601928) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one
PubChem CID63601928
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one
SMILESCCc1ccc(CN2CCNC(CC)C2=O)cc1
InChIInChI=1S/C15H22N2O/c1-3-12-5-7-13(8-6-12)11-17-10-9-16-14(4-2)15(17)18/h5-8,14,16H,3-4,9-11H2,1-2H3
InChIKeyHJJUCUPPEYCBBA-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one?
The IUPAC name of 3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one (CID 63601928) is 3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one is CCc1ccc(CN2CCNC(CC)C2=O)cc1.
What is the InChIKey of 3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one?
The InChIKey is HJJUCUPPEYCBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12-5-7-13(8-6-12)11-17-10-9-16-14(4-2)15(17)18/h5-8,14,16H,3-4,9-11H2,1-2H3.
What are the key properties of 3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one?
3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one has a molecular weight of 246.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-ethylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 63601928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).