2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one

C13H20N2O2 — CID 82064669

IUPAC2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCN1CCCCC1
InChIInChI=1S/C13H20N2O2/c1-11-13(12(16)5-6-14-11)17-10-9-15-7-3-2-4-8-15/h5-6H,2-4,7-10H2,1H3,(H,14,16)
InChIKeyTXUJIYJSIPHZLB-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.55
Rot. Bonds4

About 2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one

2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one (PubChem CID 82064669) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one
PubChem CID82064669
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCN1CCCCC1
InChIInChI=1S/C13H20N2O2/c1-11-13(12(16)5-6-14-11)17-10-9-15-7-3-2-4-8-15/h5-6H,2-4,7-10H2,1H3,(H,14,16)
InChIKeyTXUJIYJSIPHZLB-UHFFFAOYSA-N
XLogP1.55
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one (CID 82064669) is 2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCCN1CCCCC1.
What is the InChIKey of 2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one?
The InChIKey is TXUJIYJSIPHZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-13(12(16)5-6-14-11)17-10-9-15-7-3-2-4-8-15/h5-6H,2-4,7-10H2,1H3,(H,14,16).
What are the key properties of 2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one?
2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one has a molecular weight of 236.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 82064669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).