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

C20H22FN5O — CID 30886381

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1F
InChIInChI=1S/C20H22FN5O/c1-14-5-6-15(12-17(14)21)13-22-20(27)25-10-7-16(8-11-25)19-24-23-18-4-2-3-9-26(18)19/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,22,27)
InChIKeyFODUAPLQHBUZML-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.27
Rot. Bonds3

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

N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 30886381) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
PubChem CID30886381
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1F
InChIInChI=1S/C20H22FN5O/c1-14-5-6-15(12-17(14)21)13-22-20(27)25-10-7-16(8-11-25)19-24-23-18-4-2-3-9-26(18)19/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,22,27)
InChIKeyFODUAPLQHBUZML-UHFFFAOYSA-N
XLogP3.27
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 78890504
N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 86999694
1-N,4-N-bis[(3-fluoro-4-methylphenyl)methyl]-1,4-diazepane-1,4-dicarboxamide
CID 30886315
2-(3-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 134813379
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
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
(3-methylthiophen-2-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46524423
N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 146122455
N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 3231961
(3R)-N-(4-methylpentyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 94030932
4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70774566

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (CID 30886381) is N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The InChIKey is FODUAPLQHBUZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14-5-6-15(12-17(14)21)13-22-20(27)25-10-7-16(8-11-25)19-24-23-18-4-2-3-9-26(18)19/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,22,27).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 30886381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).