1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione

C15H20N2O4 — CID 64971367

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1Cc1ccc(OC)cc1OC
InChIInChI=1S/C15H20N2O4/c1-4-12-15(19)16-8-14(18)17(12)9-10-5-6-11(20-2)7-13(10)21-3/h5-7,12H,4,8-9H2,1-3H3,(H,16,19)
InChIKeyCZDXIGYHRKXNLO-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.94
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione

1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione (PubChem CID 64971367) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
PubChem CID64971367
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1Cc1ccc(OC)cc1OC
InChIInChI=1S/C15H20N2O4/c1-4-12-15(19)16-8-14(18)17(12)9-10-5-6-11(20-2)7-13(10)21-3/h5-7,12H,4,8-9H2,1-3H3,(H,16,19)
InChIKeyCZDXIGYHRKXNLO-UHFFFAOYSA-N
XLogP0.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 65331442
6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione
CID 64879658
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
3-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-1,3-thiazolidin-4-one
CID 3364684
(3aS,7aS)-1-[(2,4-dimethoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydroindole-2,6-dione
CID 124567118
3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3808644
(3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-3-methylazetidin-2-one
CID 118485372
(4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3,4-dihydropyridin-2-one
CID 102049603
4-(2-diazoacetyl)-1-[(2,4-dimethoxyphenyl)methyl]azetidin-2-one
CID 54501513
3-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1H-imidazole-2-thione
CID 81335393
2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 56898233
N-butyl-2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45233537

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione (CID 64971367) is 1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione is CCC1C(=O)NCC(=O)N1Cc1ccc(OC)cc1OC.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione?
The InChIKey is CZDXIGYHRKXNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-12-15(19)16-8-14(18)17(12)9-10-5-6-11(20-2)7-13(10)21-3/h5-7,12H,4,8-9H2,1-3H3,(H,16,19).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione?
1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione has a molecular weight of 292.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64971367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).