3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one

C13H20N2O2 — CID 84699528

IUPAC3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one
SMILESCC(C)n1ccc(=O)c(OC2CCNCC2)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)15-8-5-12(16)13(9-15)17-11-3-6-14-7-4-11/h5,8-11,14H,3-4,6-7H2,1-2H3
InChIKeyRXSMXBYHMVNVMF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.56
Rot. Bonds3

About 3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one

3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one (PubChem CID 84699528) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one
PubChem CID84699528
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one
SMILESCC(C)n1ccc(=O)c(OC2CCNCC2)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)15-8-5-12(16)13(9-15)17-11-3-6-14-7-4-11/h5,8-11,14H,3-4,6-7H2,1-2H3
InChIKeyRXSMXBYHMVNVMF-UHFFFAOYSA-N
XLogP1.56
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-4-yloxy-1H-pyridin-4-one
CID 84665471
2-methyl-3-piperidin-4-yloxy-1H-pyridin-4-one
CID 84676150
1-Methyl-3-piperidin-4-yloxypyridin-4-one
CID 84676151
3-(piperidin-2-ylmethoxy)-1H-pyridin-4-one
CID 84676158
3-(3-Aminopropoxy)-1-propan-2-ylpyridin-4-one
CID 84677856
1-Propan-2-yl-3-pyrrolidin-3-yloxypyridin-4-one
CID 84687730
1,2-Dimethyl-3-piperidin-4-yloxypyridin-4-one
CID 84687731
1-Methyl-3-(piperidin-2-ylmethoxy)pyridin-4-one
CID 84687736
1-Methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one
CID 84687738
1-Methyl-3-(piperidin-4-ylmethoxy)pyridin-4-one
CID 84687740
1-Cyclopropyl-3-piperidin-4-yloxypyridin-4-one
CID 84697698

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one?
The IUPAC name of 3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one (CID 84699528) is 3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one is CC(C)n1ccc(=O)c(OC2CCNCC2)c1.
What is the InChIKey of 3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one?
The InChIKey is RXSMXBYHMVNVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)15-8-5-12(16)13(9-15)17-11-3-6-14-7-4-11/h5,8-11,14H,3-4,6-7H2,1-2H3.
What are the key properties of 3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one?
3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one has a molecular weight of 236.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yloxy-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 84699528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).