3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione

C19H18N2O3 — CID 10734605

IUPAC3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione
SMILESC=C1C(=O)NC(Cc2ccccc2)(OC)C(=O)N1c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-14-17(22)20-19(24-2,13-15-9-5-3-6-10-15)18(23)21(14)16-11-7-4-8-12-16/h3-12H,1,13H2,2H3,(H,20,22)
InChIKeyNGUYVJCPUCIVTJ-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.25
Rot. Bonds4

About 3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione

3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione (PubChem CID 10734605) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione
PubChem CID10734605
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione
SMILESC=C1C(=O)NC(Cc2ccccc2)(OC)C(=O)N1c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-14-17(22)20-19(24-2,13-15-9-5-3-6-10-15)18(23)21(14)16-11-7-4-8-12-16/h3-12H,1,13H2,2H3,(H,20,22)
InChIKeyNGUYVJCPUCIVTJ-UHFFFAOYSA-N
XLogP2.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione?
The IUPAC name of 3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione (CID 10734605) is 3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione.
What is the SMILES notation for 3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione?
The canonical SMILES for 3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione is C=C1C(=O)NC(Cc2ccccc2)(OC)C(=O)N1c1ccccc1.
What is the InChIKey of 3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione?
The InChIKey is NGUYVJCPUCIVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-14-17(22)20-19(24-2,13-15-9-5-3-6-10-15)18(23)21(14)16-11-7-4-8-12-16/h3-12H,1,13H2,2H3,(H,20,22).
What are the key properties of 3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione?
3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione has a molecular weight of 322.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-methoxy-6-methylidene-1-phenylpiperazine-2,5-dione is sourced from PubChem (CID 10734605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).