1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine

C20H22N4O3 — CID 87578645

IUPAC1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine
SMILESCC(=NOc1ncnc(OC2CCNCC2)c1C)c1cc2ccccc2o1
InChIInChI=1S/C20H22N4O3/c1-13-19(25-16-7-9-21-10-8-16)22-12-23-20(13)27-24-14(2)18-11-15-5-3-4-6-17(15)26-18/h3-6,11-12,16,21H,7-10H2,1-2H3
InChIKeyZEBHDCSUHUPNMW-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.47
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine

1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine (PubChem CID 87578645) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine
PubChem CID87578645
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine
SMILESCC(=NOc1ncnc(OC2CCNCC2)c1C)c1cc2ccccc2o1
InChIInChI=1S/C20H22N4O3/c1-13-19(25-16-7-9-21-10-8-16)22-12-23-20(13)27-24-14(2)18-11-15-5-3-4-6-17(15)26-18/h3-6,11-12,16,21H,7-10H2,1-2H3
InChIKeyZEBHDCSUHUPNMW-UHFFFAOYSA-N
XLogP3.47
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine (CID 87578645) is 1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine is CC(=NOc1ncnc(OC2CCNCC2)c1C)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine?
The InChIKey is ZEBHDCSUHUPNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-19(25-16-7-9-21-10-8-16)22-12-23-20(13)27-24-14(2)18-11-15-5-3-4-6-17(15)26-18/h3-6,11-12,16,21H,7-10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine?
1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine has a molecular weight of 366.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyethanimine is sourced from PubChem (CID 87578645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).