4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one

C19H26N2O2 — CID 24716603

IUPAC4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
SMILESCCc1ccccc1N1CCN(C(=O)C2CCCC2)C(C)C1=O
InChIInChI=1S/C19H26N2O2/c1-3-15-8-6-7-11-17(15)21-13-12-20(14(2)18(21)22)19(23)16-9-4-5-10-16/h6-8,11,14,16H,3-5,9-10,12-13H2,1-2H3
InChIKeyHEYKVYAUFULQAH-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.00
Rot. Bonds3

About 4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one

4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one (PubChem CID 24716603) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
PubChem CID24716603
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
SMILESCCc1ccccc1N1CCN(C(=O)C2CCCC2)C(C)C1=O
InChIInChI=1S/C19H26N2O2/c1-3-15-8-6-7-11-17(15)21-13-12-20(14(2)18(21)22)19(23)16-9-4-5-10-16/h6-8,11,14,16H,3-5,9-10,12-13H2,1-2H3
InChIKeyHEYKVYAUFULQAH-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 93290815
(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
4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one
CID 24716134
1-(3-bromophenyl)-4-(cyclobutanecarbonyl)-3-methylpiperazin-2-one
CID 46743928
4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one
CID 24716171
(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93321778
3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 24715884
(3S)-1-(2-ethylphenyl)-3-propanoylpiperidin-2-one
CID 125450755

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one (CID 24716603) is 4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one is CCc1ccccc1N1CCN(C(=O)C2CCCC2)C(C)C1=O.
What is the InChIKey of 4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one?
The InChIKey is HEYKVYAUFULQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-15-8-6-7-11-17(15)21-13-12-20(14(2)18(21)22)19(23)16-9-4-5-10-16/h6-8,11,14,16H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of 4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one?
4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one has a molecular weight of 314.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24716603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).