4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one

C18H24N2O2 — CID 24716206

IUPAC4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C3CCC3)C(C)C2=O)c(C)c1
InChIInChI=1S/C18H24N2O2/c1-12-7-8-16(13(2)11-12)20-10-9-19(14(3)17(20)21)18(22)15-5-4-6-15/h7-8,11,14-15H,4-6,9-10H2,1-3H3
InChIKeyAOKCKXMXTXGURF-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.67
Rot. Bonds2

About 4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one

4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one (PubChem CID 24716206) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one
PubChem CID24716206
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C3CCC3)C(C)C2=O)c(C)c1
InChIInChI=1S/C18H24N2O2/c1-12-7-8-16(13(2)11-12)20-10-9-19(14(3)17(20)21)18(22)15-5-4-6-15/h7-8,11,14-15H,4-6,9-10H2,1-3H3
InChIKeyAOKCKXMXTXGURF-UHFFFAOYSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 93322251
(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93322023
(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 93290815
4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 24716603
1-(2,4-dimethylphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24716392
1-(3-bromophenyl)-4-(cyclobutanecarbonyl)-3-methylpiperazin-2-one
CID 46743928
(3S)-1-(4-chloro-2-methylphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93323347
4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 24716399
4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one
CID 24716134
4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
CID 24715869
(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93321778
4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one
CID 24716171

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one (CID 24716206) is 4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one is Cc1ccc(N2CCN(C(=O)C3CCC3)C(C)C2=O)c(C)c1.
What is the InChIKey of 4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one?
The InChIKey is AOKCKXMXTXGURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-7-8-16(13(2)11-12)20-10-9-19(14(3)17(20)21)18(22)15-5-4-6-15/h7-8,11,14-15H,4-6,9-10H2,1-3H3.
What are the key properties of 4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one?
4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24716206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).