5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

C13H19N3O3 — CID 55118392

IUPAC5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCCCC2CO)c1
InChIInChI=1S/C13H19N3O3/c14-10-4-5-12(18)15(7-10)8-13(19)16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9,14H2
InChIKeyXJBYCHGYNMQNEW-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.20
Rot. Bonds3

About 5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 55118392) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID55118392
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCCCC2CO)c1
InChIInChI=1S/C13H19N3O3/c14-10-4-5-12(18)15(7-10)8-13(19)16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9,14H2
InChIKeyXJBYCHGYNMQNEW-UHFFFAOYSA-N
XLogP-0.20
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.20
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-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 55118392) is 5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is Nc1ccc(=O)n(CC(=O)N2CCCCC2CO)c1.
What is the InChIKey of 5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is XJBYCHGYNMQNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-10-4-5-12(18)15(7-10)8-13(19)16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9,14H2.
What are the key properties of 5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 265.31 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 55118392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).