3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one

C11H16N2O2 — CID 84676160

IUPAC3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1OCC1CCNCC1
InChIInChI=1S/C11H16N2O2/c14-10-3-6-13-7-11(10)15-8-9-1-4-12-5-2-9/h3,6-7,9,12H,1-2,4-5,8H2,(H,13,14)
InChIKeyALGSJGSAEXEHGM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.75
Rot. Bonds3

About 3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one

3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one (PubChem CID 84676160) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one
PubChem CID84676160
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1OCC1CCNCC1
InChIInChI=1S/C11H16N2O2/c14-10-3-6-13-7-11(10)15-8-9-1-4-12-5-2-9/h3,6-7,9,12H,1-2,4-5,8H2,(H,13,14)
InChIKeyALGSJGSAEXEHGM-UHFFFAOYSA-N
XLogP0.75
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one?
The IUPAC name of 3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one (CID 84676160) is 3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one?
The canonical SMILES for 3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one is O=c1cc[nH]cc1OCC1CCNCC1.
What is the InChIKey of 3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one?
The InChIKey is ALGSJGSAEXEHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-3-6-13-7-11(10)15-8-9-1-4-12-5-2-9/h3,6-7,9,12H,1-2,4-5,8H2,(H,13,14).
What are the key properties of 3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one?
3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 84676160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).