1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid

C14H16N4O3 — CID 84614360

IUPAC1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid
SMILESCc1nnc2ccc(C(=O)N3CCC(C(=O)O)CC3)cn12
InChIInChI=1S/C14H16N4O3/c1-9-15-16-12-3-2-11(8-18(9)12)13(19)17-6-4-10(5-7-17)14(20)21/h2-3,8,10H,4-7H2,1H3,(H,20,21)
InChIKeyLOCNDEOROBZLPF-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.97
Rot. Bonds2

About 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid

1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid (PubChem CID 84614360) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid
PubChem CID84614360
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid
SMILESCc1nnc2ccc(C(=O)N3CCC(C(=O)O)CC3)cn12
InChIInChI=1S/C14H16N4O3/c1-9-15-16-12-3-2-11(8-18(9)12)13(19)17-6-4-10(5-7-17)14(20)21/h2-3,8,10H,4-7H2,1H3,(H,20,21)
InChIKeyLOCNDEOROBZLPF-UHFFFAOYSA-N
XLogP0.97
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid 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

(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-thiomorpholin-4-ylmethanone
CID 97211527
(2,2-dimethylthiomorpholin-4-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 96570693
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
2-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210810
1-(3-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-3-carboxylic acid
CID 84614333
N-[(2-hydroxycyclopentyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111471083
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 56803163
ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate
CID 137291244
3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 47090674
1-(3-amino-4-methylbenzoyl)piperidine-4-carboxylic acid
CID 61158258
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 95977725
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 86966453

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid (CID 84614360) is 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid is Cc1nnc2ccc(C(=O)N3CCC(C(=O)O)CC3)cn12.
What is the InChIKey of 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is LOCNDEOROBZLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-15-16-12-3-2-11(8-18(9)12)13(19)17-6-4-10(5-7-17)14(20)21/h2-3,8,10H,4-7H2,1H3,(H,20,21).
What are the key properties of 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid?
1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 84614360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).