N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide

C19H21N5O3S — CID 42581450

IUPACN-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1
InChIInChI=1S/C19H21N5O3S/c1-14(25)20-16-7-9-17(10-8-16)28(26,27)23-11-4-5-15(13-23)19-22-21-18-6-2-3-12-24(18)19/h2-3,6-10,12,15H,4-5,11,13H2,1H3,(H,20,25)/t15-/m1/s1
InChIKeyOBIJVNYYBJGMFZ-OAHLLOKOSA-N
MW399.48 g/mol
LogP2.26
Rot. Bonds4

About N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 42581450) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID42581450
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1
InChIInChI=1S/C19H21N5O3S/c1-14(25)20-16-7-9-17(10-8-16)28(26,27)23-11-4-5-15(13-23)19-22-21-18-6-2-3-12-24(18)19/h2-3,6-10,12,15H,4-5,11,13H2,1H3,(H,20,25)/t15-/m1/s1
InChIKeyOBIJVNYYBJGMFZ-OAHLLOKOSA-N
XLogP2.26
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 124612466
3-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 71900155
3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 42649946
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
3-(1-spiro[2.3]hexan-5-ylsulfonylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 154786862
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 51728621
N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 71793689
2-[[5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 28935472
[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 31314718
2-[[5-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 28935476
N-[4-[(3R)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 99963727

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 42581450) is N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1.
What is the InChIKey of N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is OBIJVNYYBJGMFZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-14(25)20-16-7-9-17(10-8-16)28(26,27)23-11-4-5-15(13-23)19-22-21-18-6-2-3-12-24(18)19/h2-3,6-10,12,15H,4-5,11,13H2,1H3,(H,20,25)/t15-/m1/s1.
What are the key properties of N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 399.48 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 42581450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).