3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione

C26H23N3O5 — CID 69422895

IUPAC3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
SMILESCOc1cc(C=c2[nH]c(=O)c(=Cc3ccc(OCc4ccccc4)cn3)[nH]c2=O)cc(OC)c1
InChIInChI=1S/C26H23N3O5/c1-32-21-10-18(11-22(14-21)33-2)12-23-25(30)29-24(26(31)28-23)13-19-8-9-20(15-27-19)34-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyDGABDTPHZOTMIF-UHFFFAOYSA-N
MW457.49 g/mol
LogP1.71
Rot. Bonds7

About 3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione

3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione (PubChem CID 69422895) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
PubChem CID69422895
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
SMILESCOc1cc(C=c2[nH]c(=O)c(=Cc3ccc(OCc4ccccc4)cn3)[nH]c2=O)cc(OC)c1
InChIInChI=1S/C26H23N3O5/c1-32-21-10-18(11-22(14-21)33-2)12-23-25(30)29-24(26(31)28-23)13-19-8-9-20(15-27-19)34-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyDGABDTPHZOTMIF-UHFFFAOYSA-N
XLogP1.71
TPSA106.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione (CID 69422895) is 3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione is COc1cc(C=c2[nH]c(=O)c(=Cc3ccc(OCc4ccccc4)cn3)[nH]c2=O)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione?
The InChIKey is DGABDTPHZOTMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-32-21-10-18(11-22(14-21)33-2)12-23-25(30)29-24(26(31)28-23)13-19-8-9-20(15-27-19)34-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione?
3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione has a molecular weight of 457.49 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methylidene]-6-[(5-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 69422895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).