2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H18N4O3 — CID 114680383

IUPAC2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC1CN(C(=O)Cn2nc3ccccn3c2=O)CCC1O
InChIInChI=1S/C14H18N4O3/c1-10-8-16(7-5-11(10)19)13(20)9-18-14(21)17-6-3-2-4-12(17)15-18/h2-4,6,10-11,19H,5,7-9H2,1H3
InChIKeyDYGOIFOBVKGNSK-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.27
Rot. Bonds2

About 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 114680383) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID114680383
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC1CN(C(=O)Cn2nc3ccccn3c2=O)CCC1O
InChIInChI=1S/C14H18N4O3/c1-10-8-16(7-5-11(10)19)13(20)9-18-14(21)17-6-3-2-4-12(17)15-18/h2-4,6,10-11,19H,5,7-9H2,1H3
InChIKeyDYGOIFOBVKGNSK-UHFFFAOYSA-N
XLogP-0.27
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 114680383) is 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC1CN(C(=O)Cn2nc3ccccn3c2=O)CCC1O.
What is the InChIKey of 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DYGOIFOBVKGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-10-8-16(7-5-11(10)19)13(20)9-18-14(21)17-6-3-2-4-12(17)15-18/h2-4,6,10-11,19H,5,7-9H2,1H3.
What are the key properties of 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 290.32 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 114680383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).