3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one

C10H15N3O2 — CID 139390598

IUPAC3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one
SMILESNc1cccn([C@H]2CC[C@H](O)CN2)c1=O
InChIInChI=1S/C10H15N3O2/c11-8-2-1-5-13(10(8)15)9-4-3-7(14)6-12-9/h1-2,5,7,9,12,14H,3-4,6,11H2/t7-,9-/m0/s1
InChIKeyYYZCYVZJBULRPU-CBAPKCEASA-N
MW209.25 g/mol
LogP-0.33
Rot. Bonds1

About 3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one

3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one (PubChem CID 139390598) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one
PubChem CID139390598
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one
SMILESNc1cccn([C@H]2CC[C@H](O)CN2)c1=O
InChIInChI=1S/C10H15N3O2/c11-8-2-1-5-13(10(8)15)9-4-3-7(14)6-12-9/h1-2,5,7,9,12,14H,3-4,6,11H2/t7-,9-/m0/s1
InChIKeyYYZCYVZJBULRPU-CBAPKCEASA-N
XLogP-0.33
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one (CID 139390598) is 3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one is Nc1cccn([C@H]2CC[C@H](O)CN2)c1=O.
What is the InChIKey of 3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one?
The InChIKey is YYZCYVZJBULRPU-CBAPKCEASA-N. The full InChI is InChI=1S/C10H15N3O2/c11-8-2-1-5-13(10(8)15)9-4-3-7(14)6-12-9/h1-2,5,7,9,12,14H,3-4,6,11H2/t7-,9-/m0/s1.
What are the key properties of 3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one?
3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2S,5S)-5-hydroxypiperidin-2-yl]pyridin-2-one is sourced from PubChem (CID 139390598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).