4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one

C10H16N2O3 — CID 154735776

IUPAC4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one
SMILESCC1CC(C(=O)N2CC(O)C2)CC(=O)N1
InChIInChI=1S/C10H16N2O3/c1-6-2-7(3-9(14)11-6)10(15)12-4-8(13)5-12/h6-8,13H,2-5H2,1H3,(H,11,14)
InChIKeyUKXRWZLZTDKBHE-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.90
Rot. Bonds1

About 4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one

4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one (PubChem CID 154735776) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one
PubChem CID154735776
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one
SMILESCC1CC(C(=O)N2CC(O)C2)CC(=O)N1
InChIInChI=1S/C10H16N2O3/c1-6-2-7(3-9(14)11-6)10(15)12-4-8(13)5-12/h6-8,13H,2-5H2,1H3,(H,11,14)
InChIKeyUKXRWZLZTDKBHE-UHFFFAOYSA-N
XLogP-0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 103782617
(4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 97347669
5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride
CID 119564607
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
(1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 69087847
1-cyclopentyl-4-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 55179169
(3-aminocyclopentyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217532
5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]piperidin-2-one
CID 103745537
1-(2-methyl-6-oxopiperidine-4-carbonyl)-2,3-dihydroindole-4-carbonitrile
CID 167761414
(3,4-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119791817
1-(2-methylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 106740000

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one?
The IUPAC name of 4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one (CID 154735776) is 4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one.
What is the SMILES notation for 4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one?
The canonical SMILES for 4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one is CC1CC(C(=O)N2CC(O)C2)CC(=O)N1.
What is the InChIKey of 4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one?
The InChIKey is UKXRWZLZTDKBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6-2-7(3-9(14)11-6)10(15)12-4-8(13)5-12/h6-8,13H,2-5H2,1H3,(H,11,14).
What are the key properties of 4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one?
4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one has a molecular weight of 212.25 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyazetidine-1-carbonyl)-6-methylpiperidin-2-one is sourced from PubChem (CID 154735776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).