6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione

C13H14N2O4 — CID 123849497

IUPAC6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione
SMILESC=C1NC(=O)C(O)(Cc2ccccc2)N(OC)C1=O
InChIInChI=1S/C13H14N2O4/c1-9-11(16)15(19-2)13(18,12(17)14-9)8-10-6-4-3-5-7-10/h3-7,18H,1,8H2,2H3,(H,14,17)
InChIKeyGQMXXOZWENQDJL-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.05
Rot. Bonds3

About 6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione

6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione (PubChem CID 123849497) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione
PubChem CID123849497
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione
SMILESC=C1NC(=O)C(O)(Cc2ccccc2)N(OC)C1=O
InChIInChI=1S/C13H14N2O4/c1-9-11(16)15(19-2)13(18,12(17)14-9)8-10-6-4-3-5-7-10/h3-7,18H,1,8H2,2H3,(H,14,17)
InChIKeyGQMXXOZWENQDJL-UHFFFAOYSA-N
XLogP-0.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione?
The IUPAC name of 6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione (CID 123849497) is 6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione.
What is the SMILES notation for 6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione?
The canonical SMILES for 6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione is C=C1NC(=O)C(O)(Cc2ccccc2)N(OC)C1=O.
What is the InChIKey of 6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione?
The InChIKey is GQMXXOZWENQDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-9-11(16)15(19-2)13(18,12(17)14-9)8-10-6-4-3-5-7-10/h3-7,18H,1,8H2,2H3,(H,14,17).
What are the key properties of 6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione?
6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione has a molecular weight of 262.27 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-6-hydroxy-1-methoxy-3-methylidenepiperazine-2,5-dione is sourced from PubChem (CID 123849497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).