methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate

C15H19N5O3 — CID 91765217

IUPACmethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C15H19N5O3/c1-23-15(22)19-8-4-2-6-11(19)14(21)16-10-13-18-17-12-7-3-5-9-20(12)13/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,16,21)
InChIKeyGDSPJHFZJTXPHZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.97
Rot. Bonds3

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

methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 91765217) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate
PubChem CID91765217
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Namemethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C15H19N5O3/c1-23-15(22)19-8-4-2-6-11(19)14(21)16-10-13-18-17-12-7-3-5-9-20(12)13/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,16,21)
InChIKeyGDSPJHFZJTXPHZ-UHFFFAOYSA-N
XLogP0.97
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(3,5-dichlorobenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 51938352
(2S)-1-(3,4-dichlorobenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 51938354
(2R)-1-(4-bromophenyl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 30261060
2-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64823445
2-cyclohexyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 39761250
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
cis-(1S,2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94035247
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119833084
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 60717518
3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119833088
(1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
CID 26009015
methyl 2-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 90651139

Frequently Asked Questions

What is the IUPAC name of methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate (CID 91765217) is methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate is COC(=O)N1CCCCC1C(=O)NCc1nnc2ccccn12.
What is the InChIKey of methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is GDSPJHFZJTXPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-23-15(22)19-8-4-2-6-11(19)14(21)16-10-13-18-17-12-7-3-5-9-20(12)13/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,16,21).
What are the key properties of methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate?
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 91765217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).