(6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione

C13H14N2O3 — CID 905014

IUPAC(6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione
SMILESCOc1ccc(C=C2NC(=O)[C@@H](C)NC2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-8-12(16)15-11(13(17)14-8)7-9-3-5-10(18-2)6-4-9/h3-8H,1-2H3,(H,14,17)(H,15,16)/t8-/m1/s1
InChIKeyCHNKTBHDSKNMAO-MRVPVSSYSA-N
MW246.27 g/mol
LogP0.67
Rot. Bonds2

About (6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione

(6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione (PubChem CID 905014) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione
PubChem CID905014
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione
SMILESCOc1ccc(C=C2NC(=O)[C@@H](C)NC2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-8-12(16)15-11(13(17)14-8)7-9-3-5-10(18-2)6-4-9/h3-8H,1-2H3,(H,14,17)(H,15,16)/t8-/m1/s1
InChIKeyCHNKTBHDSKNMAO-MRVPVSSYSA-N
XLogP0.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methyl-6-[(4-methylphenyl)methylidene]piperazine-2,5-dione
CID 71964253
3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione
CID 67614037
3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
CID 2882053
4-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-5-one
CID 131888638
3-cyclopropyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53396065
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 160654115
(5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
CID 6447629
(5Z)-2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135794870
2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135540671
methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate
CID 3480313
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885

Frequently Asked Questions

What is the IUPAC name of (6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione?
The IUPAC name of (6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione (CID 905014) is (6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for (6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione?
The canonical SMILES for (6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione is COc1ccc(C=C2NC(=O)[C@@H](C)NC2=O)cc1.
What is the InChIKey of (6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione?
The InChIKey is CHNKTBHDSKNMAO-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-12(16)15-11(13(17)14-8)7-9-3-5-10(18-2)6-4-9/h3-8H,1-2H3,(H,14,17)(H,15,16)/t8-/m1/s1.
What are the key properties of (6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione?
(6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione has a molecular weight of 246.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 905014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).