2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one

C13H21N3O2 — CID 56900434

IUPAC2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCCOCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C13H21N3O2/c1-2-18-9-8-16-13(17)10-12(11-14-16)15-6-4-3-5-7-15/h10-11H,2-9H2,1H3
InChIKeyMMSWPUFAFBPOLQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.27
Rot. Bonds5

About 2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one

2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 56900434) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID56900434
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCCOCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C13H21N3O2/c1-2-18-9-8-16-13(17)10-12(11-14-16)15-6-4-3-5-7-15/h10-11H,2-9H2,1H3
InChIKeyMMSWPUFAFBPOLQ-UHFFFAOYSA-N
XLogP1.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
4-Ethoxy-2-methyl-5-piperidin-1-ylpyridazin-3-one
CID 12550757
2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
2-(2-propoxyethyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72868425
2-Methyl-5-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202128
5-[4-(morpholinocarbonyl)piperidino]-2-propyl-3(2H)-pyridazinone
CID 53202212
2-Ethoxy-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924030
2-Ethoxy-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924055
5-morpholin-4-yl-2-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-one
CID 97208340

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one (CID 56900434) is 2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one is CCOCCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is MMSWPUFAFBPOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-18-9-8-16-13(17)10-12(11-14-16)15-6-4-3-5-7-15/h10-11H,2-9H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one?
2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 56900434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).