[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

C19H20N4O2 — CID 154867298

IUPAC[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2nncn2c1)N1CCCCC1C(O)c1ccccc1
InChIInChI=1S/C19H20N4O2/c24-18(14-6-2-1-3-7-14)16-8-4-5-11-23(16)19(25)15-9-10-17-21-20-13-22(17)12-15/h1-3,6-7,9-10,12-13,16,18,24H,4-5,8,11H2
InChIKeyPPSOXSCCHQZLFP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.46
Rot. Bonds3

About [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (PubChem CID 154867298) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
PubChem CID154867298
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2nncn2c1)N1CCCCC1C(O)c1ccccc1
InChIInChI=1S/C19H20N4O2/c24-18(14-6-2-1-3-7-14)16-8-4-5-11-23(16)19(25)15-9-10-17-21-20-13-22(17)12-15/h1-3,6-7,9-10,12-13,16,18,24H,4-5,8,11H2
InChIKeyPPSOXSCCHQZLFP-UHFFFAOYSA-N
XLogP2.46
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 124661275
piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97211491
[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126820795
[(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 95350745
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137182026
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631
(4-amino-3,3-dimethylpiperidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 120816284
[(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone
CID 44540070
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride
CID 120742282
[(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170199
[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170240

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The IUPAC name of [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (CID 154867298) is [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.
What is the SMILES notation for [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The canonical SMILES for [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is O=C(c1ccc2nncn2c1)N1CCCCC1C(O)c1ccccc1.
What is the InChIKey of [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The InChIKey is PPSOXSCCHQZLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(14-6-2-1-3-7-14)16-8-4-5-11-23(16)19(25)15-9-10-17-21-20-13-22(17)12-15/h1-3,6-7,9-10,12-13,16,18,24H,4-5,8,11H2.
What are the key properties of [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is sourced from PubChem (CID 154867298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).