3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione

C14H18N2O3 — CID 66069576

IUPAC3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione
SMILESCCC1NCC(=O)N(Cc2ccccc2OC)C1=O
InChIInChI=1S/C14H18N2O3/c1-3-11-14(18)16(13(17)8-15-11)9-10-6-4-5-7-12(10)19-2/h4-7,11,15H,3,8-9H2,1-2H3
InChIKeyNPVCKJGIPAUZNQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.93
Rot. Bonds4

About 3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione

3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione (PubChem CID 66069576) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione
PubChem CID66069576
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione
SMILESCCC1NCC(=O)N(Cc2ccccc2OC)C1=O
InChIInChI=1S/C14H18N2O3/c1-3-11-14(18)16(13(17)8-15-11)9-10-6-4-5-7-12(10)19-2/h4-7,11,15H,3,8-9H2,1-2H3
InChIKeyNPVCKJGIPAUZNQ-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-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-chloro-3-fluorophenyl)methyl]-3-ethylpiperazine-2,6-dione
CID 112654102
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 104794567
3-ethyl-1-(2-phenylethyl)piperazine-2,6-dione
CID 66069020
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 125296367
3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902782
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854
(1R,2S,6S,7S)-4-[(2-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6544546
1-[(5-chlorothiophen-2-yl)methyl]-3-ethylpiperazine-2,6-dione
CID 66067652
1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole
CID 84732148
2-[(2-methoxyphenyl)methyl]-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione
CID 3828179
(5R)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 124863296
(5S)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 91636915

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione (CID 66069576) is 3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione is CCC1NCC(=O)N(Cc2ccccc2OC)C1=O.
What is the InChIKey of 3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione?
The InChIKey is NPVCKJGIPAUZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-11-14(18)16(13(17)8-15-11)9-10-6-4-5-7-12(10)19-2/h4-7,11,15H,3,8-9H2,1-2H3.
What are the key properties of 3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione?
3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione has a molecular weight of 262.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 66069576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).