2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one

C14H21N3O2 — CID 97191012

IUPAC2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1C[C@@H]1CCCO1
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/t13-/m0/s1
InChIKeyOVQBBSLTDXPIPY-ZDUSSCGKSA-N
MW263.34 g/mol
LogP1.41
Rot. Bonds3

About 2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one

2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 97191012) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID97191012
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1C[C@@H]1CCCO1
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/t13-/m0/s1
InChIKeyOVQBBSLTDXPIPY-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one (CID 97191012) is 2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)cnn1C[C@@H]1CCCO1.
What is the InChIKey of 2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is OVQBBSLTDXPIPY-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of 2-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one?
2-[[(2S)-oxolan-2-yl]methyl]-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-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 97191012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).