2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C17H25N3O2 — CID 126865061

IUPAC2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCN(C3CCC3O)CC1)CCC2
InChIInChI=1S/C17H25N3O2/c21-16-5-4-15(16)19-8-6-12(7-9-19)11-20-17(22)10-13-2-1-3-14(13)18-20/h10,12,15-16,21H,1-9,11H2
InChIKeyXZMZAGICJVTABT-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.97
Rot. Bonds3

About 2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126865061) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126865061
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCN(C3CCC3O)CC1)CCC2
InChIInChI=1S/C17H25N3O2/c21-16-5-4-15(16)19-8-6-12(7-9-19)11-20-17(22)10-13-2-1-3-14(13)18-20/h10,12,15-16,21H,1-9,11H2
InChIKeyXZMZAGICJVTABT-UHFFFAOYSA-N
XLogP0.97
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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 2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126865061) is 2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CC1CCN(C3CCC3O)CC1)CCC2.
What is the InChIKey of 2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is XZMZAGICJVTABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-16-5-4-15(16)19-8-6-12(7-9-19)11-20-17(22)10-13-2-1-3-14(13)18-20/h10,12,15-16,21H,1-9,11H2.
What are the key properties of 2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 303.41 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126865061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).