4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one

C16H24N4O2 — CID 91907011

IUPAC4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(CC1CCCN(c2cn[nH]c(=O)c2)C1)N1CCCCC1
InChIInChI=1S/C16H24N4O2/c21-15-10-14(11-17-18-15)20-8-4-5-13(12-20)9-16(22)19-6-2-1-3-7-19/h10-11,13H,1-9,12H2,(H,18,21)
InChIKeyLTVDFEVPXRDAQH-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.39
Rot. Bonds3

About 4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one

4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 91907011) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID91907011
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(CC1CCCN(c2cn[nH]c(=O)c2)C1)N1CCCCC1
InChIInChI=1S/C16H24N4O2/c21-15-10-14(11-17-18-15)20-8-4-5-13(12-20)9-16(22)19-6-2-1-3-7-19/h10-11,13H,1-9,12H2,(H,18,21)
InChIKeyLTVDFEVPXRDAQH-UHFFFAOYSA-N
XLogP1.39
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-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 4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one (CID 91907011) is 4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one is O=C(CC1CCCN(c2cn[nH]c(=O)c2)C1)N1CCCCC1.
What is the InChIKey of 4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is LTVDFEVPXRDAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15-10-14(11-17-18-15)20-8-4-5-13(12-20)9-16(22)19-6-2-1-3-7-19/h10-11,13H,1-9,12H2,(H,18,21).
What are the key properties of 4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one?
4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 304.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 91907011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).