3,5-dihydroxypiperidin-4-one

C5H9NO3 — CID 91327610

IUPAC3,5-dihydroxypiperidin-4-one
SMILESO=C1C(O)CNCC1O
InChIInChI=1S/C5H9NO3/c7-3-1-6-2-4(8)5(3)9/h3-4,6-8H,1-2H2
InChIKeyZAXGGBHREOIWPW-UHFFFAOYSA-N
MW131.13 g/mol
LogP-2.12
Rot. Bonds

About 3,5-dihydroxypiperidin-4-one

3,5-dihydroxypiperidin-4-one (PubChem CID 91327610) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 3,5-dihydroxypiperidin-4-one.

Molecular Properties

Compound Name3,5-dihydroxypiperidin-4-one
PubChem CID91327610
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name3,5-dihydroxypiperidin-4-one
SMILESO=C1C(O)CNCC1O
InChIInChI=1S/C5H9NO3/c7-3-1-6-2-4(8)5(3)9/h3-4,6-8H,1-2H2
InChIKeyZAXGGBHREOIWPW-UHFFFAOYSA-N
XLogP-2.12
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,5-dihydroxypiperidin-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

Related Compounds

(3R)-3-hydroxyazetidin-2-one
CID 97184618
(1R,5R)-3-azabicyclo[3.2.1]octan-8-one
CID 98052490
(1S,5S)-3-azabicyclo[3.1.1]heptan-6-one
CID 98137974
azetidin-3-ol;hydrobromide
CID 142777193
7,15-dihydroxy-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadecane-8,16-dione
CID 90910582
7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 83479866
3-hydroxypyrrolidine-2,5-dione;phosphane
CID 155059355
4-methylidenepiperidin-3-ol
CID 70262257
1-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-2,5-dione
CID 61349772
(3R)-3,6-dihydroxycyclohexane-1,2-dione
CID 123290269
(3R,5R)-piperidine-3,4,5-triol
CID 10464382
2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-4-ol
CID 135590582

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxypiperidin-4-one?
The IUPAC name of 3,5-dihydroxypiperidin-4-one (CID 91327610) is 3,5-dihydroxypiperidin-4-one.
What is the SMILES notation for 3,5-dihydroxypiperidin-4-one?
The canonical SMILES for 3,5-dihydroxypiperidin-4-one is O=C1C(O)CNCC1O.
What is the InChIKey of 3,5-dihydroxypiperidin-4-one?
The InChIKey is ZAXGGBHREOIWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-3-1-6-2-4(8)5(3)9/h3-4,6-8H,1-2H2.
What are the key properties of 3,5-dihydroxypiperidin-4-one?
3,5-dihydroxypiperidin-4-one has a molecular weight of 131.13 g/mol, XLogP of -2.12, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxypiperidin-4-one is sourced from PubChem (CID 91327610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).