5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one

C12H17N3O3 — CID 62815978

IUPAC5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C12H17N3O3/c13-9-1-2-11(17)15(7-9)8-12(18)14-5-3-10(16)4-6-14/h1-2,7,10,16H,3-6,8,13H2
InChIKeyHZPWWSSPYOCOHK-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.59
Rot. Bonds2

About 5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one

5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 62815978) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID62815978
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C12H17N3O3/c13-9-1-2-11(17)15(7-9)8-12(18)14-5-3-10(16)4-6-14/h1-2,7,10,16H,3-6,8,13H2
InChIKeyHZPWWSSPYOCOHK-UHFFFAOYSA-N
XLogP-0.59
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one (CID 62815978) is 5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one is Nc1ccc(=O)n(CC(=O)N2CCC(O)CC2)c1.
What is the InChIKey of 5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is HZPWWSSPYOCOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-9-1-2-11(17)15(7-9)8-12(18)14-5-3-10(16)4-6-14/h1-2,7,10,16H,3-6,8,13H2.
What are the key properties of 5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 251.29 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 62815978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).