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

C14H18N2O3 — CID 64881451

IUPAC6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCN1C(=O)CNC(=O)C1Cc1ccccc1
InChIInChI=1S/C14H18N2O3/c1-19-8-7-16-12(14(18)15-10-13(16)17)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,18)
InChIKeyFZNWRUJQVCNFQD-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.20
Rot. Bonds5

About 6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione

6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione (PubChem CID 64881451) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione
PubChem CID64881451
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCN1C(=O)CNC(=O)C1Cc1ccccc1
InChIInChI=1S/C14H18N2O3/c1-19-8-7-16-12(14(18)15-10-13(16)17)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,18)
InChIKeyFZNWRUJQVCNFQD-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione?
The IUPAC name of 6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione (CID 64881451) is 6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione is COCCN1C(=O)CNC(=O)C1Cc1ccccc1.
What is the InChIKey of 6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione?
The InChIKey is FZNWRUJQVCNFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-8-7-16-12(14(18)15-10-13(16)17)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,18).
What are the key properties of 6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione?
6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 64881451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).