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

C21H24N2O3 — CID 46036089

IUPAC1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCCc1ccc(N2CCN(C(=O)c3cccc(OC)c3)C(C)C2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-4-16-8-10-18(11-9-16)23-13-12-22(15(2)20(23)24)21(25)17-6-5-7-19(14-17)26-3/h5-11,14-15H,4,12-13H2,1-3H3
InChIKeyCWVBHARWVYCABC-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.14
Rot. Bonds4

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

1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one (PubChem CID 46036089) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
PubChem CID46036089
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCCc1ccc(N2CCN(C(=O)c3cccc(OC)c3)C(C)C2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-4-16-8-10-18(11-9-16)23-13-12-22(15(2)20(23)24)21(25)17-6-5-7-19(14-17)26-3/h5-11,14-15H,4,12-13H2,1-3H3
InChIKeyCWVBHARWVYCABC-UHFFFAOYSA-N
XLogP3.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
(3S)-4-(3-bromobenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290677
(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 93321433
1-(3,4-dimethoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24719545
4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 24715973
1-(3-methoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 46036257
(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 93292424
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one (CID 46036089) is 1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one is CCc1ccc(N2CCN(C(=O)c3cccc(OC)c3)C(C)C2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one?
The InChIKey is CWVBHARWVYCABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-16-8-10-18(11-9-16)23-13-12-22(15(2)20(23)24)21(25)17-6-5-7-19(14-17)26-3/h5-11,14-15H,4,12-13H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one?
1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one has a molecular weight of 352.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46036089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).