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

C21H32N6O — CID 86999694

IUPACN-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCC(c2nnc3ccccn23)CC1)N1CCCCC1
InChIInChI=1S/C21H32N6O/c1-21(2,26-11-5-3-6-12-26)16-22-20(28)25-14-9-17(10-15-25)19-24-23-18-8-4-7-13-27(18)19/h4,7-8,13,17H,3,5-6,9-12,14-16H2,1-2H3,(H,22,28)
InChIKeyVYUCHZYDJIOUOK-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.88
Rot. Bonds4

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

N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 86999694) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
PubChem CID86999694
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC NameN-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCC(c2nnc3ccccn23)CC1)N1CCCCC1
InChIInChI=1S/C21H32N6O/c1-21(2,26-11-5-3-6-12-26)16-22-20(28)25-14-9-17(10-15-25)19-24-23-18-8-4-7-13-27(18)19/h4,7-8,13,17H,3,5-6,9-12,14-16H2,1-2H3,(H,22,28)
InChIKeyVYUCHZYDJIOUOK-UHFFFAOYSA-N
XLogP2.88
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 24664708
N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 30886381
2-(1-hydroxycyclohexyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 111331645
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
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
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294
2-(2-chlorophenyl)sulfanyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 31742653
6-pyrrol-1-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]hexan-1-one
CID 127254735
2-(3-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 134813379
(3R)-N-(4-methylpentyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 94030932
2-[2-ethoxy-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 46612910

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (CID 86999694) is N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is CC(C)(CNC(=O)N1CCC(c2nnc3ccccn23)CC1)N1CCCCC1.
What is the InChIKey of N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The InChIKey is VYUCHZYDJIOUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-21(2,26-11-5-3-6-12-26)16-22-20(28)25-14-9-17(10-15-25)19-24-23-18-8-4-7-13-27(18)19/h4,7-8,13,17H,3,5-6,9-12,14-16H2,1-2H3,(H,22,28).
What are the key properties of N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 384.53 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 86999694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).