2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one

C14H21N3O2 — CID 72857552

IUPAC2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1CC1CCCO1
InChIInChI=1S/C14H21N3O2/c18-14-9-12(16-6-2-1-3-7-16)10-15-17(14)11-13-5-4-8-19-13/h9-10,13H,1-8,11H2
InChIKeyOVQBBSLTDXPIPY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.41
Rot. Bonds3

About 2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one

2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 72857552) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID72857552
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1CC1CCCO1
InChIInChI=1S/C14H21N3O2/c18-14-9-12(16-6-2-1-3-7-16)10-15-17(14)11-13-5-4-8-19-13/h9-10,13H,1-8,11H2
InChIKeyOVQBBSLTDXPIPY-UHFFFAOYSA-N
XLogP1.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-morpholin-4-yl-2-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-one
CID 97208340
5-(Dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 45195111
2-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
CID 30852854
2-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
CID 30852855
2-[(3-ethyl-4,5-dihydro-5-isoxazolyl)methyl]-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 45170069
5-(4-methyl-1-piperazinyl)-2-(tetrahydro-2-furanylmethyl)-3(2H)-pyridazinone
CID 45932616
2-(2-ethoxyethyl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56900434
5-piperazin-1-yl-2-(tetrahydrofuran-2-ylmethyl)pyridazin-3(2H)-one
CID 72865171
2-(6-oxo-4-piperidin-1-ylpyridazin-1(6H)-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 72881282
5-pyrrolidin-1-yl-2-(tetrahydrofuran-2-ylmethyl)pyridazin-3(2H)-one
CID 72924233
5-morpholin-4-yl-2-(tetrahydrofuran-2-ylmethyl)pyridazin-3(2H)-one
CID 72930604
2-(1,4-dioxan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3(2H)-one
CID 72934854

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one (CID 72857552) is 2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)cnn1CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is OVQBBSLTDXPIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14-9-12(16-6-2-1-3-7-16)10-15-17(14)11-13-5-4-8-19-13/h9-10,13H,1-8,11H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one?
2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72857552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).