1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one

C18H26N2O4 — CID 24715908

IUPAC1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
SMILESCOc1ccc(OC)c(N2CCN(C(=O)CC(C)C)C(C)C2=O)c1
InChIInChI=1S/C18H26N2O4/c1-12(2)10-17(21)19-8-9-20(18(22)13(19)3)15-11-14(23-4)6-7-16(15)24-5/h6-7,11-13H,8-10H2,1-5H3
InChIKeyFOOYJDRSFFYTHD-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.31
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one

1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (PubChem CID 24715908) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
PubChem CID24715908
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
SMILESCOc1ccc(OC)c(N2CCN(C(=O)CC(C)C)C(C)C2=O)c1
InChIInChI=1S/C18H26N2O4/c1-12(2)10-17(21)19-8-9-20(18(22)13(19)3)15-11-14(23-4)6-7-16(15)24-5/h6-7,11-13H,8-10H2,1-5H3
InChIKeyFOOYJDRSFFYTHD-UHFFFAOYSA-N
XLogP2.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716164
(3R)-1-(5-chloro-2-methoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 93323367
(3R)-4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93323379
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one
CID 46036409
(3R)-1-(5-chloro-2-methoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 93322109
(3S)-4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322966
4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 46036434
1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716601
1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716226
2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid
CID 21203784
1-(3,5-dimethoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716731

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (CID 24715908) is 1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one is COc1ccc(OC)c(N2CCN(C(=O)CC(C)C)C(C)C2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The InChIKey is FOOYJDRSFFYTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)10-17(21)19-8-9-20(18(22)13(19)3)15-11-14(23-4)6-7-16(15)24-5/h6-7,11-13H,8-10H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one has a molecular weight of 334.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one is sourced from PubChem (CID 24715908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).