3,4-dihydroxy-5-methylpiperidin-2-one

C6H11NO3 — CID 71438218

IUPAC3,4-dihydroxy-5-methylpiperidin-2-one
SMILESCC1CNC(=O)C(O)C1O
InChIInChI=1S/C6H11NO3/c1-3-2-7-6(10)5(9)4(3)8/h3-5,8-9H,2H2,1H3,(H,7,10)
InChIKeyNTZKJRXXWZUJGO-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.53
Rot. Bonds

About 3,4-dihydroxy-5-methylpiperidin-2-one

3,4-dihydroxy-5-methylpiperidin-2-one (PubChem CID 71438218) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3,4-dihydroxy-5-methylpiperidin-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-5-methylpiperidin-2-one
PubChem CID71438218
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3,4-dihydroxy-5-methylpiperidin-2-one
SMILESCC1CNC(=O)C(O)C1O
InChIInChI=1S/C6H11NO3/c1-3-2-7-6(10)5(9)4(3)8/h3-5,8-9H,2H2,1H3,(H,7,10)
InChIKeyNTZKJRXXWZUJGO-UHFFFAOYSA-N
XLogP-1.53
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trihydroxypiperidin-2-one
CID 14867232
(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
4-methyl-3-sulfanylpyrrolidin-2-one
CID 87332414
(3R)-3-hydroxyazetidin-2-one
CID 97184618
(3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one
CID 55299112
ethyl (3S,4S)-4-methyl-2-oxopyrrolidine-3-carboxylate
CID 165064993
ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate
CID 130007839
(3R,4R,5R)-3-amino-4,5-dihydroxypiperidin-2-one
CID 14888092
(5R)-4,5-dimethylpiperidin-2-one
CID 55298895
3,5-dimethylpiperidin-4-ol;ethane
CID 176666809
N-cyclopentyl-4-methyl-2-oxopyrrolidine-3-carboxamide
CID 142438420
7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one
CID 130141503

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-5-methylpiperidin-2-one?
The IUPAC name of 3,4-dihydroxy-5-methylpiperidin-2-one (CID 71438218) is 3,4-dihydroxy-5-methylpiperidin-2-one.
What is the SMILES notation for 3,4-dihydroxy-5-methylpiperidin-2-one?
The canonical SMILES for 3,4-dihydroxy-5-methylpiperidin-2-one is CC1CNC(=O)C(O)C1O.
What is the InChIKey of 3,4-dihydroxy-5-methylpiperidin-2-one?
The InChIKey is NTZKJRXXWZUJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-2-7-6(10)5(9)4(3)8/h3-5,8-9H,2H2,1H3,(H,7,10).
What are the key properties of 3,4-dihydroxy-5-methylpiperidin-2-one?
3,4-dihydroxy-5-methylpiperidin-2-one has a molecular weight of 145.16 g/mol, XLogP of -1.53, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-5-methylpiperidin-2-one is sourced from PubChem (CID 71438218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).