2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one

C14H20N2O3 — CID 82342781

IUPAC2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one
SMILESCCCOc1c[nH]c(CN2CCC(=O)CC2)cc1=O
InChIInChI=1S/C14H20N2O3/c1-2-7-19-14-9-15-11(8-13(14)18)10-16-5-3-12(17)4-6-16/h8-9H,2-7,10H2,1H3,(H,15,18)
InChIKeyAUUVUFUMGBEDFT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.33
Rot. Bonds5

About 2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one

2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one (PubChem CID 82342781) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one
PubChem CID82342781
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one
SMILESCCCOc1c[nH]c(CN2CCC(=O)CC2)cc1=O
InChIInChI=1S/C14H20N2O3/c1-2-7-19-14-9-15-11(8-13(14)18)10-16-5-3-12(17)4-6-16/h8-9H,2-7,10H2,1H3,(H,15,18)
InChIKeyAUUVUFUMGBEDFT-UHFFFAOYSA-N
XLogP1.33
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(4-morpholinylmethyl)-4(1H)-pyridinone
CID 29888538
N-isopropyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl]acetamide
CID 27532517
2-(5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl)acetamide
CID 40829092
1-{2-[[(4-Hydroxy-5-methoxypyridin-2-yl)methyl](methyl)amino]ethyl}piperidin-2-one
CID 91834858
2-[5-Methoxy-4-oxo-2-(piperidinomethyl)-1(4H)-pyridinyl]-N~1~-propylacetamide
CID 27636523
5-Methoxy-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-ol
CID 33679497
5-Methoxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-ol
CID 33679511
5-methoxy-2-(piperidin-1-ylmethyl)pyridin-4(1H)-one
CID 42281627
4-hydroxy-5-methoxy-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
CID 74234794
2-(azepan-1-ylmethyl)-5-methoxy-1H-pyridin-4-one
CID 82017797
2-(aminomethyl)-5-(2-piperidin-1-ylethoxy)-1H-pyridin-4-one
CID 82063949
2-(aminomethyl)-5-[3-(dimethylamino)propoxy]-1H-pyridin-4-one
CID 82063950

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one?
The IUPAC name of 2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one (CID 82342781) is 2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one is CCCOc1c[nH]c(CN2CCC(=O)CC2)cc1=O.
What is the InChIKey of 2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one?
The InChIKey is AUUVUFUMGBEDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-7-19-14-9-15-11(8-13(14)18)10-16-5-3-12(17)4-6-16/h8-9H,2-7,10H2,1H3,(H,15,18).
What are the key properties of 2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one?
2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one has a molecular weight of 264.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxopiperidin-1-yl)methyl]-5-propoxy-1H-pyridin-4-one is sourced from PubChem (CID 82342781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).