1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid

C16H20N4O3 — CID 84614454

IUPAC1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid
SMILESCC(C)c1nnc2c(C(=O)N3CCC(C(=O)O)CC3)cccn12
InChIInChI=1S/C16H20N4O3/c1-10(2)13-17-18-14-12(4-3-7-20(13)14)15(21)19-8-5-11(6-9-19)16(22)23/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,22,23)
InChIKeyNQQSTECIJJTQMA-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.79
Rot. Bonds3

About 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid

1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid (PubChem CID 84614454) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid
PubChem CID84614454
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid
SMILESCC(C)c1nnc2c(C(=O)N3CCC(C(=O)O)CC3)cccn12
InChIInChI=1S/C16H20N4O3/c1-10(2)13-17-18-14-12(4-3-7-20(13)14)15(21)19-8-5-11(6-9-19)16(22)23/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,22,23)
InChIKeyNQQSTECIJJTQMA-UHFFFAOYSA-N
XLogP1.79
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 119349556
1-[2-(propan-2-ylamino)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349576
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83881575
1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 154737644
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074688
1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
CID 62650616
2-[2-(4-carbamoylpiperidine-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 119179243
1-(3,4-dihydro-1H-isochromene-8-carbonyl)piperidine-4-carboxylic acid
CID 154798587
1-(2-ethylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 119166683
1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide
CID 5094742

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid (CID 84614454) is 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid is CC(C)c1nnc2c(C(=O)N3CCC(C(=O)O)CC3)cccn12.
What is the InChIKey of 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is NQQSTECIJJTQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(2)13-17-18-14-12(4-3-7-20(13)14)15(21)19-8-5-11(6-9-19)16(22)23/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,22,23).
What are the key properties of 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid?
1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 84614454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).