3,4,5-trihydroxypiperidin-2-one

C5H9NO4 — CID 14867232

IUPAC3,4,5-trihydroxypiperidin-2-one
SMILESO=C1NCC(O)C(O)C1O
InChIInChI=1S/C5H9NO4/c7-2-1-6-5(10)4(9)3(2)8/h2-4,7-9H,1H2,(H,6,10)
InChIKeyRRRFLTNCMKVVNJ-UHFFFAOYSA-N
MW147.13 g/mol
LogP-2.80
Rot. Bonds

About 3,4,5-trihydroxypiperidin-2-one

3,4,5-trihydroxypiperidin-2-one (PubChem CID 14867232) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3,4,5-trihydroxypiperidin-2-one.

Molecular Properties

Compound Name3,4,5-trihydroxypiperidin-2-one
PubChem CID14867232
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name3,4,5-trihydroxypiperidin-2-one
SMILESO=C1NCC(O)C(O)C1O
InChIInChI=1S/C5H9NO4/c7-2-1-6-5(10)4(9)3(2)8/h2-4,7-9H,1H2,(H,6,10)
InChIKeyRRRFLTNCMKVVNJ-UHFFFAOYSA-N
XLogP-2.80
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-2.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3,4,5-trihydroxypiperidin-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

(3R,4S,5S,6R,10R,11S,12S,17R,18S,19S,20R,24R,25S,26S,27R,31R,32S,33S,34R,38R,39S,40S,41R,45R,46S,47S,48R,52R,53S,54S,55R)-3,4,5,6,10,11,12,13,17,18,19,20,24,25,26,27,31,32,33,34,38,39,40,41,45,46,47,48,52,53,54,55-dotriacontahydroxy-1,8,15,22,29,36,43,50-octazacyclohexapentacontane-2,9,16,23,30,37,44,51-octone
CID 177404320
(3R,4R,5R)-3-amino-4,5-dihydroxypiperidin-2-one
CID 14888092
3,4-dihydroxy-5-methylpiperidin-2-one
CID 71438218
(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one
CID 642676
(3S,4S)-3-amino-4-hydroxypyrrolidin-2-one
CID 15484376
(3R)-3-hydroxyazetidin-2-one
CID 97184618
(3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride
CID 170170449
(4S,5R)-4,5-dihydroxypiperidin-2-one
CID 57413174
(1R,5R,6S,7S,8R,12R,13S,14S)-6,7,13,14-tetrahydroxy-15,16-dioxa-3,10-diazatricyclo[10.2.1.15,8]hexadecane-2,9-dione
CID 11001653
(4S)-4-amino-3-hydroxyazepan-2-one
CID 130420309
4-hydroxy-3-pentylpyrrolidin-2-one
CID 67824798
(3R,4R)-3-hydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxypiperidin-2-one
CID 46936767

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trihydroxypiperidin-2-one?
The IUPAC name of 3,4,5-trihydroxypiperidin-2-one (CID 14867232) is 3,4,5-trihydroxypiperidin-2-one.
What is the SMILES notation for 3,4,5-trihydroxypiperidin-2-one?
The canonical SMILES for 3,4,5-trihydroxypiperidin-2-one is O=C1NCC(O)C(O)C1O.
What is the InChIKey of 3,4,5-trihydroxypiperidin-2-one?
The InChIKey is RRRFLTNCMKVVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c7-2-1-6-5(10)4(9)3(2)8/h2-4,7-9H,1H2,(H,6,10).
What are the key properties of 3,4,5-trihydroxypiperidin-2-one?
3,4,5-trihydroxypiperidin-2-one has a molecular weight of 147.13 g/mol, XLogP of -2.80, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trihydroxypiperidin-2-one is sourced from PubChem (CID 14867232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).