propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate

C15H20N4O2 — CID 126823598

IUPACpropyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C15H20N4O2/c1-2-10-21-15(20)18-8-5-6-12(11-18)14-17-16-13-7-3-4-9-19(13)14/h3-4,7,9,12H,2,5-6,8,10-11H2,1H3
InChIKeyWLCWMBXKQFVAPA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.46
Rot. Bonds3

About propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate

propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 126823598) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID126823598
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namepropyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C15H20N4O2/c1-2-10-21-15(20)18-8-5-6-12(11-18)14-17-16-13-7-3-4-9-19(13)14/h3-4,7,9,12H,2,5-6,8,10-11H2,1H3
InChIKeyWLCWMBXKQFVAPA-UHFFFAOYSA-N
XLogP2.46
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,4-dimethyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 134051396
3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 75770583
(E)-3-(3-methoxy-4-propoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 46534495
4-pyrrol-1-yl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 128963578
(3R)-N-(4-methylpentyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 94030932
1-ethyl-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyridin-2-one
CID 125171730
(2-iodophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42896883
2-hydroxy-2-phenyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 110881752
3-(4-tert-butylphenyl)-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 51926466
4-(2,5-dimethylpyrrol-1-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 121238837
2-(3-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 46534448
3-(3,5-dimethoxyphenyl)-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 51929162

Frequently Asked Questions

What is the IUPAC name of propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate (CID 126823598) is propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate is CCCOC(=O)N1CCCC(c2nnc3ccccn23)C1.
What is the InChIKey of propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is WLCWMBXKQFVAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-10-21-15(20)18-8-5-6-12(11-18)14-17-16-13-7-3-4-9-19(13)14/h3-4,7,9,12H,2,5-6,8,10-11H2,1H3.
What are the key properties of propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate?
propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 126823598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).