(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one

C18H24N2O2 — CID 93290815

IUPAC(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
SMILESCCc1ccccc1N1CCN(C(=O)C2CCC2)[C@@H](C)C1=O
InChIInChI=1S/C18H24N2O2/c1-3-14-7-4-5-10-16(14)20-12-11-19(13(2)17(20)21)18(22)15-8-6-9-15/h4-5,7,10,13,15H,3,6,8-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyLGRBXQUTLOOIHR-ZDUSSCGKSA-N
MW300.40 g/mol
LogP2.61
Rot. Bonds3

About (3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one

(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one (PubChem CID 93290815) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
PubChem CID93290815
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
SMILESCCc1ccccc1N1CCN(C(=O)C2CCC2)[C@@H](C)C1=O
InChIInChI=1S/C18H24N2O2/c1-3-14-7-4-5-10-16(14)20-12-11-19(13(2)17(20)21)18(22)15-8-6-9-15/h4-5,7,10,13,15H,3,6,8-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyLGRBXQUTLOOIHR-ZDUSSCGKSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 24716603
(3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 93290812
1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716601
4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 24716206
(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93322023
(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 93322251
1-(3-bromophenyl)-4-(cyclobutanecarbonyl)-3-methylpiperazin-2-one
CID 46743928
4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one
CID 24716134
3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 24715884
(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93321778
(3S)-1-(2-ethylphenyl)-3-propanoylpiperidin-2-one
CID 125450755
4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847459

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one (CID 93290815) is (3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one is CCc1ccccc1N1CCN(C(=O)C2CCC2)[C@@H](C)C1=O.
What is the InChIKey of (3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one?
The InChIKey is LGRBXQUTLOOIHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-14-7-4-5-10-16(14)20-12-11-19(13(2)17(20)21)18(22)15-8-6-9-15/h4-5,7,10,13,15H,3,6,8-9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one?
(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93290815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).