1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione

C14H18N2O3 — CID 20794518

IUPAC1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCC1NC(=O)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-19-8-7-12-14(18)16(10-13(17)15-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)
InChIKeyUQMCZRODYZPNDL-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.55
Rot. Bonds5

About 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione

1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione (PubChem CID 20794518) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione
PubChem CID20794518
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCC1NC(=O)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-19-8-7-12-14(18)16(10-13(17)15-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)
InChIKeyUQMCZRODYZPNDL-UHFFFAOYSA-N
XLogP0.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione?
The IUPAC name of 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione (CID 20794518) is 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione is COCCC1NC(=O)CN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione?
The InChIKey is UQMCZRODYZPNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-8-7-12-14(18)16(10-13(17)15-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17).
What are the key properties of 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione?
1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 20794518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).