3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione

C15H20N2O3 — CID 64902782

IUPAC3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(Cc2ccccc2OC)C1=O
InChIInChI=1S/C15H20N2O3/c1-4-12-15(19)17(10(2)14(18)16-12)9-11-7-5-6-8-13(11)20-3/h5-8,10,12H,4,9H2,1-3H3,(H,16,18)
InChIKeyGVWVHRYJXQFZBZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds4

About 3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione

3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 64902782) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID64902782
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(Cc2ccccc2OC)C1=O
InChIInChI=1S/C15H20N2O3/c1-4-12-15(19)17(10(2)14(18)16-12)9-11-7-5-6-8-13(11)20-3/h5-8,10,12H,4,9H2,1-3H3,(H,16,18)
InChIKeyGVWVHRYJXQFZBZ-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902779
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440
6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64875276
3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66069576
1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733507
3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
CID 114334980
6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874307
3-ethyl-6-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine-2,5-dione
CID 64902972
1-[(2-chlorophenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874852
(4R,5R)-4-ethyl-1-[(2-methoxyphenyl)methyl]-5-(1-methylpyrrol-2-yl)imidazolidin-2-one
CID 11266994
methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate
CID 146250811
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione (CID 64902782) is 3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione is CCC1NC(=O)C(C)N(Cc2ccccc2OC)C1=O.
What is the InChIKey of 3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is GVWVHRYJXQFZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-12-15(19)17(10(2)14(18)16-12)9-11-7-5-6-8-13(11)20-3/h5-8,10,12H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione?
3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64902782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).