1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone

C14H18N4O2 — CID 9355843

IUPAC1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone
SMILESC[C@@H]1CCCCN1C(=O)COc1nnc2ccccn12
InChIInChI=1S/C14H18N4O2/c1-11-6-2-4-8-17(11)13(19)10-20-14-16-15-12-7-3-5-9-18(12)14/h3,5,7,9,11H,2,4,6,8,10H2,1H3/t11-/m1/s1
InChIKeyVOELPBUSYOBJQU-LLVKDONJSA-N
MW274.32 g/mol
LogP1.51
Rot. Bonds3

About 1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone

1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone (PubChem CID 9355843) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone
PubChem CID9355843
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone
SMILESC[C@@H]1CCCCN1C(=O)COc1nnc2ccccn12
InChIInChI=1S/C14H18N4O2/c1-11-6-2-4-8-17(11)13(19)10-20-14-16-15-12-7-3-5-9-18(12)14/h3,5,7,9,11H,2,4,6,8,10H2,1H3/t11-/m1/s1
InChIKeyVOELPBUSYOBJQU-LLVKDONJSA-N
XLogP1.51
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone with MolForge

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Related Compounds

2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
N'-hydroxy-2-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 43332975
3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 121283686
2-[2-(2-methylpyrrolidin-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 54882490
1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 112787708
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327333
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 4814507
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 94172220
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate
CID 55449279
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7277105

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone?
The IUPAC name of 1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone (CID 9355843) is 1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone.
What is the SMILES notation for 1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone?
The canonical SMILES for 1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone is C[C@@H]1CCCCN1C(=O)COc1nnc2ccccn12.
What is the InChIKey of 1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone?
The InChIKey is VOELPBUSYOBJQU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-6-2-4-8-17(11)13(19)10-20-14-16-15-12-7-3-5-9-18(12)14/h3,5,7,9,11H,2,4,6,8,10H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone?
1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone has a molecular weight of 274.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone is sourced from PubChem (CID 9355843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).