(3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione

C25H28N2O4 — CID 67601643

IUPAC(3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
SMILESCCCCCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(OC)cc3)[nH]c2=O)cc1
InChIInChI=1S/C25H28N2O4/c1-3-4-5-6-15-31-21-13-9-19(10-14-21)17-23-25(29)26-22(24(28)27-23)16-18-7-11-20(30-2)12-8-18/h7-14,16-17H,3-6,15H2,1-2H3,(H,26,29)(H,27,28)/b22-16-,23-17-
InChIKeyOOGURPNXXTZBPB-IDUDEYGOSA-N
MW420.51 g/mol
LogP2.69
Rot. Bonds9

About (3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione

(3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione (PubChem CID 67601643) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is (3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
PubChem CID67601643
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name(3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
SMILESCCCCCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(OC)cc3)[nH]c2=O)cc1
InChIInChI=1S/C25H28N2O4/c1-3-4-5-6-15-31-21-13-9-19(10-14-21)17-23-25(29)26-22(24(28)27-23)16-18-7-11-20(30-2)12-8-18/h7-14,16-17H,3-6,15H2,1-2H3,(H,26,29)(H,27,28)/b22-16-,23-17-
InChIKeyOOGURPNXXTZBPB-IDUDEYGOSA-N
XLogP2.69
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione with MolForge

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Related Compounds

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CID 91712423
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CID 6174974
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
(3Z,5Z)-3,5-bis[(4-hexoxyphenyl)methylidene]-1-methylpiperidin-4-one
CID 75409675
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
2,6-bis[(4-hexoxyphenyl)methylidene]cyclohexan-1-one
CID 69497980
(5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
CID 70296275
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione (CID 67601643) is (3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione is CCCCCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(OC)cc3)[nH]c2=O)cc1.
What is the InChIKey of (3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione?
The InChIKey is OOGURPNXXTZBPB-IDUDEYGOSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-3-4-5-6-15-31-21-13-9-19(10-14-21)17-23-25(29)26-22(24(28)27-23)16-18-7-11-20(30-2)12-8-18/h7-14,16-17H,3-6,15H2,1-2H3,(H,26,29)(H,27,28)/b22-16-,23-17-.
What are the key properties of (3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione?
(3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione has a molecular weight of 420.51 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 67601643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).