5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one

C13H21N3O2 — CID 43259546

IUPAC5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCC(O)CC2)c1
InChIInChI=1S/C13H21N3O2/c14-11-2-3-13(18)16(10-11)7-1-6-15-8-4-12(17)5-9-15/h2-3,10,12,17H,1,4-9,14H2
InChIKeyWTQKECKJTFCFDY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.28
Rot. Bonds4

About 5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one

5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one (PubChem CID 43259546) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one
PubChem CID43259546
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCC(O)CC2)c1
InChIInChI=1S/C13H21N3O2/c14-11-2-3-13(18)16(10-11)7-1-6-15-8-4-12(17)5-9-15/h2-3,10,12,17H,1,4-9,14H2
InChIKeyWTQKECKJTFCFDY-UHFFFAOYSA-N
XLogP0.28
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-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 5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one (CID 43259546) is 5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one is Nc1ccc(=O)n(CCCN2CCC(O)CC2)c1.
What is the InChIKey of 5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one?
The InChIKey is WTQKECKJTFCFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-11-2-3-13(18)16(10-11)7-1-6-15-8-4-12(17)5-9-15/h2-3,10,12,17H,1,4-9,14H2.
What are the key properties of 5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one?
5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one has a molecular weight of 251.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one is sourced from PubChem (CID 43259546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).