(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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Related Compounds

(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1333942
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 5291604
7-bromo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71183642
(5E)-1-benzyl-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1345490
5-[(4-methoxy-3-methylphenyl)methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 74518069
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3282435
(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 25185443
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 5291603
(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride
CID 44581101
(5Z)-3-ethyl-5-[(4-methoxy-3-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5400785
1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione
CID 118141567

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).