1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C20H18N4O2 — CID 42569763

IUPAC1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C20H18N4O2/c25-20(17-13-15-5-1-2-6-16(15)26-17)23-11-8-14(9-12-23)19-22-21-18-7-3-4-10-24(18)19/h1-7,10,13-14H,8-9,11-12H2
InChIKeyJHHDOJKKCNCTGY-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.50
Rot. Bonds2

About 1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 42569763) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID42569763
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C20H18N4O2/c25-20(17-13-15-5-1-2-6-16(15)26-17)23-11-8-14(9-12-23)19-22-21-18-7-3-4-10-24(18)19/h1-7,10,13-14H,8-9,11-12H2
InChIKeyJHHDOJKKCNCTGY-UHFFFAOYSA-N
XLogP3.50
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 154840813
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 129397169
(3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42570360
(2-chloro-4-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46576736
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 43018368
pyrazin-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35897297
1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786966
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
(6-methyl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35899826
(3-methylthiophen-2-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46524423

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 42569763) is 1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is JHHDOJKKCNCTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-20(17-13-15-5-1-2-6-16(15)26-17)23-11-8-14(9-12-23)19-22-21-18-7-3-4-10-24(18)19/h1-7,10,13-14H,8-9,11-12H2.
What are the key properties of 1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 346.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 42569763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).