[2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone

C18H19N5O — CID 75456438

IUPAC[2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone
SMILESCc1ccc(C2CCCCN2C(=O)c2ccc3n[nH]nc3n2)cc1
InChIInChI=1S/C18H19N5O/c1-12-5-7-13(8-6-12)16-4-2-3-11-23(16)18(24)15-10-9-14-17(19-15)21-22-20-14/h5-10,16H,2-4,11H2,1H3,(H,19,20,21,22)
InChIKeyUIGXAEAMBARBCP-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.03
Rot. Bonds2

About [2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone

[2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone (PubChem CID 75456438) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone
PubChem CID75456438
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone
SMILESCc1ccc(C2CCCCN2C(=O)c2ccc3n[nH]nc3n2)cc1
InChIInChI=1S/C18H19N5O/c1-12-5-7-13(8-6-12)16-4-2-3-11-23(16)18(24)15-10-9-14-17(19-15)21-22-20-14/h5-10,16H,2-4,11H2,1H3,(H,19,20,21,22)
InChIKeyUIGXAEAMBARBCP-UHFFFAOYSA-N
XLogP3.03
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone
CID 130423454
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 120632846
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 92736228
2H-benzotriazol-5-yl-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 102557213
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 42929431
2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076857
2-(4-methylphenyl)pyrrolidine-1-carbothioic S-acid
CID 176933057
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone?
The IUPAC name of [2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone (CID 75456438) is [2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone.
What is the SMILES notation for [2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone?
The canonical SMILES for [2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone is Cc1ccc(C2CCCCN2C(=O)c2ccc3n[nH]nc3n2)cc1.
What is the InChIKey of [2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone?
The InChIKey is UIGXAEAMBARBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-5-7-13(8-6-12)16-4-2-3-11-23(16)18(24)15-10-9-14-17(19-15)21-22-20-14/h5-10,16H,2-4,11H2,1H3,(H,19,20,21,22).
What are the key properties of [2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone?
[2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone is sourced from PubChem (CID 75456438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).