2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one

C14H20N2O4 — CID 82063848

IUPAC2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one
SMILESO=C(CCOc1c[nH]c(CO)cc1=O)N1CCCCC1
InChIInChI=1S/C14H20N2O4/c17-10-11-8-12(18)13(9-15-11)20-7-4-14(19)16-5-2-1-3-6-16/h8-9,17H,1-7,10H2,(H,15,18)
InChIKeyZOWIDUNPQQMBDT-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.65
Rot. Bonds5

About 2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one

2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one (PubChem CID 82063848) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one
PubChem CID82063848
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one
SMILESO=C(CCOc1c[nH]c(CO)cc1=O)N1CCCCC1
InChIInChI=1S/C14H20N2O4/c17-10-11-8-12(18)13(9-15-11)20-7-4-14(19)16-5-2-1-3-6-16/h8-9,17H,1-7,10H2,(H,15,18)
InChIKeyZOWIDUNPQQMBDT-UHFFFAOYSA-N
XLogP0.65
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one (CID 82063848) is 2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one is O=C(CCOc1c[nH]c(CO)cc1=O)N1CCCCC1.
What is the InChIKey of 2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one?
The InChIKey is ZOWIDUNPQQMBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-10-11-8-12(18)13(9-15-11)20-7-4-14(19)16-5-2-1-3-6-16/h8-9,17H,1-7,10H2,(H,15,18).
What are the key properties of 2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one?
2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one has a molecular weight of 280.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one is sourced from PubChem (CID 82063848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).