(6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione

C21H22N2O4 — CID 10090308

IUPAC(6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CNC(=O)/C2=C/c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C21H22N2O4/c1-14-10-16(6-9-19(14)27-3)11-18-21(25)22-12-20(24)23(18)13-15-4-7-17(26-2)8-5-15/h4-11H,12-13H2,1-3H3,(H,22,25)/b18-11-
InChIKeyPHWABVYTHGRHRK-WQRHYEAKSA-N
MW366.42 g/mol
LogP2.51
Rot. Bonds5

About (6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione

(6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione (PubChem CID 10090308) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
PubChem CID10090308
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CNC(=O)/C2=C/c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C21H22N2O4/c1-14-10-16(6-9-19(14)27-3)11-18-21(25)22-12-20(24)23(18)13-15-4-7-17(26-2)8-5-15/h4-11H,12-13H2,1-3H3,(H,22,25)/b18-11-
InChIKeyPHWABVYTHGRHRK-WQRHYEAKSA-N
XLogP2.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 (6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of (6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione (CID 10090308) is (6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for (6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for (6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione is COc1ccc(CN2C(=O)CNC(=O)/C2=C/c2ccc(OC)c(C)c2)cc1.
What is the InChIKey of (6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione?
The InChIKey is PHWABVYTHGRHRK-WQRHYEAKSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-10-16(6-9-19(14)27-3)11-18-21(25)22-12-20(24)23(18)13-15-4-7-17(26-2)8-5-15/h4-11H,12-13H2,1-3H3,(H,22,25)/b18-11-.
What are the key properties of (6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione?
(6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione has a molecular weight of 366.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 10090308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).