3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one

C12H16N2O3 — CID 129470841

IUPAC3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cccc(C(=O)N2CCC[C@@H](O)C2)c1=O
InChIInChI=1S/C12H16N2O3/c1-13-6-3-5-10(11(13)16)12(17)14-7-2-4-9(15)8-14/h3,5-6,9,15H,2,4,7-8H2,1H3/t9-/m1/s1
InChIKeyOGZCNEUUMZEJAO-SECBINFHSA-N
MW236.27 g/mol
LogP-0.02
Rot. Bonds1

About 3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one

3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 129470841) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID129470841
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cccc(C(=O)N2CCC[C@@H](O)C2)c1=O
InChIInChI=1S/C12H16N2O3/c1-13-6-3-5-10(11(13)16)12(17)14-7-2-4-9(15)8-14/h3,5-6,9,15H,2,4,7-8H2,1H3/t9-/m1/s1
InChIKeyOGZCNEUUMZEJAO-SECBINFHSA-N
XLogP-0.02
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95383189
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43502725
3-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 91628240
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
(3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103993791
(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one (CID 129470841) is 3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1cccc(C(=O)N2CCC[C@@H](O)C2)c1=O.
What is the InChIKey of 3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is OGZCNEUUMZEJAO-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-6-3-5-10(11(13)16)12(17)14-7-2-4-9(15)8-14/h3,5-6,9,15H,2,4,7-8H2,1H3/t9-/m1/s1.
What are the key properties of 3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one?
3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 129470841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).