4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one

C15H20N2O — CID 59019854

IUPAC4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one
SMILESCc1ccc(C2(N3CCNC(=O)C3)CCC2)cc1
InChIInChI=1S/C15H20N2O/c1-12-3-5-13(6-4-12)15(7-2-8-15)17-10-9-16-14(18)11-17/h3-6H,2,7-11H2,1H3,(H,16,18)
InChIKeyITWKQKMPJCISER-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.81
Rot. Bonds2

About 4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one

4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one (PubChem CID 59019854) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one
PubChem CID59019854
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one
SMILESCc1ccc(C2(N3CCNC(=O)C3)CCC2)cc1
InChIInChI=1S/C15H20N2O/c1-12-3-5-13(6-4-12)15(7-2-8-15)17-10-9-16-14(18)11-17/h3-6H,2,7-11H2,1H3,(H,16,18)
InChIKeyITWKQKMPJCISER-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one?
The IUPAC name of 4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one (CID 59019854) is 4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one.
What is the SMILES notation for 4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one?
The canonical SMILES for 4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one is Cc1ccc(C2(N3CCNC(=O)C3)CCC2)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one?
The InChIKey is ITWKQKMPJCISER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-3-5-13(6-4-12)15(7-2-8-15)17-10-9-16-14(18)11-17/h3-6H,2,7-11H2,1H3,(H,16,18).
What are the key properties of 4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one?
4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one has a molecular weight of 244.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)cyclobutyl]piperazin-2-one is sourced from PubChem (CID 59019854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).