2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one

C18H28N4O2 — CID 91917479

IUPAC2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
SMILESCCn1ncc(N2CCCC(CC(=O)N3CCCCC3)C2)cc1=O
InChIInChI=1S/C18H28N4O2/c1-2-22-18(24)12-16(13-19-22)21-10-6-7-15(14-21)11-17(23)20-8-4-3-5-9-20/h12-13,15H,2-11,14H2,1H3
InChIKeyARKBCUSHSREYCL-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.88
Rot. Bonds4

About 2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one

2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 91917479) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
PubChem CID91917479
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
SMILESCCn1ncc(N2CCCC(CC(=O)N3CCCCC3)C2)cc1=O
InChIInChI=1S/C18H28N4O2/c1-2-22-18(24)12-16(13-19-22)21-10-6-7-15(14-21)11-17(23)20-8-4-3-5-9-20/h12-13,15H,2-11,14H2,1H3
InChIKeyARKBCUSHSREYCL-UHFFFAOYSA-N
XLogP1.88
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one (CID 91917479) is 2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one is CCn1ncc(N2CCCC(CC(=O)N3CCCCC3)C2)cc1=O.
What is the InChIKey of 2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is ARKBCUSHSREYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-22-18(24)12-16(13-19-22)21-10-6-7-15(14-21)11-17(23)20-8-4-3-5-9-20/h12-13,15H,2-11,14H2,1H3.
What are the key properties of 2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one?
2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 332.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91917479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).