2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H17N5O2 — CID 43556412

IUPAC2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNC1CCN(CC(=O)n2nc3ccccn3c2=O)CC1
InChIInChI=1S/C13H17N5O2/c14-10-4-7-16(8-5-10)9-12(19)18-13(20)17-6-2-1-3-11(17)15-18/h1-3,6,10H,4-5,7-9,14H2
InChIKeyFCINKKISROJBDZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.44
Rot. Bonds2

About 2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43556412) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43556412
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNC1CCN(CC(=O)n2nc3ccccn3c2=O)CC1
InChIInChI=1S/C13H17N5O2/c14-10-4-7-16(8-5-10)9-12(19)18-13(20)17-6-2-1-3-11(17)15-18/h1-3,6,10H,4-5,7-9,14H2
InChIKeyFCINKKISROJBDZ-UHFFFAOYSA-N
XLogP-0.44
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

N-cyclopropyl-2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetamide
CID 42954916
N-cyclohexyl-N-methyl-2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetamide
CID 45827021
2-(3-Oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62543101
(2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide
CID 95275092
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812006
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812007
2-Piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 84038333
3-(3-Oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 134414462
3-[3-Oxo-7-(1-piperazinyl)-1,2,4-triazolo[4,3-a]pyridin-2(3H)-yl]-2,6-piperidinedione
CID 134579987
2-Pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 146183895
3-(3-Oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 146183954
3-(7-Isocyano-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 176640416

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43556412) is 2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is NC1CCN(CC(=O)n2nc3ccccn3c2=O)CC1.
What is the InChIKey of 2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FCINKKISROJBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-10-4-7-16(8-5-10)9-12(19)18-13(20)17-6-2-1-3-11(17)15-18/h1-3,6,10H,4-5,7-9,14H2.
What are the key properties of 2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 275.31 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43556412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).