5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

C13H19N3O3 — CID 62814784

IUPAC5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C13H19N3O3/c14-11-3-4-12(18)16(7-11)8-13(19)15-5-1-2-10(6-15)9-17/h3-4,7,10,17H,1-2,5-6,8-9,14H2
InChIKeyYBKAGIDNLZXVLZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.34
Rot. Bonds3

About 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 62814784) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID62814784
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C13H19N3O3/c14-11-3-4-12(18)16(7-11)8-13(19)15-5-1-2-10(6-15)9-17/h3-4,7,10,17H,1-2,5-6,8-9,14H2
InChIKeyYBKAGIDNLZXVLZ-UHFFFAOYSA-N
XLogP-0.34
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 ≤ 5-0.34
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-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 62814784) is 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is Nc1ccc(=O)n(CC(=O)N2CCCC(CO)C2)c1.
What is the InChIKey of 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is YBKAGIDNLZXVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-11-3-4-12(18)16(7-11)8-13(19)15-5-1-2-10(6-15)9-17/h3-4,7,10,17H,1-2,5-6,8-9,14H2.
What are the key properties of 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 265.31 g/mol, XLogP of -0.34, 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-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 62814784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).