4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one

C11H14N2O2 — CID 117013986

IUPAC4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one
SMILESO=C1CC(O)CCN1Cc1cccnc1
InChIInChI=1S/C11H14N2O2/c14-10-3-5-13(11(15)6-10)8-9-2-1-4-12-7-9/h1-2,4,7,10,14H,3,5-6,8H2
InChIKeyIOKSHIWBQIWGMM-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.56
Rot. Bonds2

About 4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one

4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one (PubChem CID 117013986) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one
PubChem CID117013986
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one
SMILESO=C1CC(O)CCN1Cc1cccnc1
InChIInChI=1S/C11H14N2O2/c14-10-3-5-13(11(15)6-10)8-9-2-1-4-12-7-9/h1-2,4,7,10,14H,3,5-6,8H2
InChIKeyIOKSHIWBQIWGMM-UHFFFAOYSA-N
XLogP0.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-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

Related Compounds

methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
N-[4-[[(4aS,9aR)-6-oxo-7-(pyridin-3-ylmethyl)-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-2-yl]sulfonyl]phenyl]acetamide
CID 26742799
(4R)-4-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 98324872
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97200994
3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881794
4-(4-phenylmethoxypiperidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 131915998
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 163315974
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97202475
N-(oxan-4-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72863497
4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one
CID 20589951
(3aS,7aS)-2-(pyridazine-4-carbonyl)-5-(pyridin-3-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97403076
1-ethyl-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 72837378

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one?
The IUPAC name of 4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one (CID 117013986) is 4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one?
The canonical SMILES for 4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one is O=C1CC(O)CCN1Cc1cccnc1.
What is the InChIKey of 4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one?
The InChIKey is IOKSHIWBQIWGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-10-3-5-13(11(15)6-10)8-9-2-1-4-12-7-9/h1-2,4,7,10,14H,3,5-6,8H2.
What are the key properties of 4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one?
4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one is sourced from PubChem (CID 117013986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).