N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

C19H21N5O — CID 24664708

IUPACN-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H21N5O/c25-19(20-14-15-6-2-1-3-7-15)23-12-9-16(10-13-23)18-22-21-17-8-4-5-11-24(17)18/h1-8,11,16H,9-10,12-14H2,(H,20,25)
InChIKeyJJSIHKGPNGKDBD-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.82
Rot. Bonds3

About N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 24664708) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
PubChem CID24664708
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H21N5O/c25-19(20-14-15-6-2-1-3-7-15)23-12-9-16(10-13-23)18-22-21-17-8-4-5-11-24(17)18/h1-8,11,16H,9-10,12-14H2,(H,20,25)
InChIKeyJJSIHKGPNGKDBD-UHFFFAOYSA-N
XLogP2.82
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 30886381
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 78890504
N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide
CID 165434280
N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 86999694
N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 3231961
2-(3-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 134813379
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
1-[4-(2-phenylethyl)piperidin-1-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 78842000
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 78885941
(1-phenylcyclopropyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 33447221
2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid
CID 166237312
2-(2-benzylphenoxy)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 17430734

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (CID 24664708) is N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The InChIKey is JJSIHKGPNGKDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(20-14-15-6-2-1-3-7-15)23-12-9-16(10-13-23)18-22-21-17-8-4-5-11-24(17)18/h1-8,11,16H,9-10,12-14H2,(H,20,25).
What are the key properties of N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 24664708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).