3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one

C20H25N3O2 — CID 24993499

IUPAC3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)n[nH]1
InChIInChI=1S/C20H25N3O2/c24-20-10-9-19(21-22-20)15-5-7-17(8-6-15)25-18-11-13-23(14-12-18)16-3-1-2-4-16/h5-10,16,18H,1-4,11-14H2,(H,22,24)
InChIKeyDQUAQBPYBUZQTK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.22
Rot. Bonds4

About 3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one

3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one (PubChem CID 24993499) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one
PubChem CID24993499
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)n[nH]1
InChIInChI=1S/C20H25N3O2/c24-20-10-9-19(21-22-20)15-5-7-17(8-6-15)25-18-11-13-23(14-12-18)16-3-1-2-4-16/h5-10,16,18H,1-4,11-14H2,(H,22,24)
InChIKeyDQUAQBPYBUZQTK-UHFFFAOYSA-N
XLogP3.22
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one 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 3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one (CID 24993499) is 3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one is O=c1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)n[nH]1.
What is the InChIKey of 3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one?
The InChIKey is DQUAQBPYBUZQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20-10-9-19(21-22-20)15-5-7-17(8-6-15)25-18-11-13-23(14-12-18)16-3-1-2-4-16/h5-10,16,18H,1-4,11-14H2,(H,22,24).
What are the key properties of 3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one?
3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one has a molecular weight of 339.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 24993499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).