1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide

C20H23N5O3S — CID 134014213

IUPAC1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H23N5O3S/c26-20(21-12-9-19-23-22-18-8-4-5-13-25(18)19)16-10-14-24(15-11-16)29(27,28)17-6-2-1-3-7-17/h1-8,13,16H,9-12,14-15H2,(H,21,26)
InChIKeyRAILDAKHERPWNF-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.49
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 134014213) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID134014213
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H23N5O3S/c26-20(21-12-9-19-23-22-18-8-4-5-13-25(18)19)16-10-14-24(15-11-16)29(27,28)17-6-2-1-3-7-17/h1-8,13,16H,9-12,14-15H2,(H,21,26)
InChIKeyRAILDAKHERPWNF-UHFFFAOYSA-N
XLogP1.49
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-piperidin-1-ylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
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N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]cyclopropanecarboxamide
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CID 30539777
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CID 64824029
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide (CID 134014213) is 1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1nnc2ccccn12)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is RAILDAKHERPWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c26-20(21-12-9-19-23-22-18-8-4-5-13-25(18)19)16-10-14-24(15-11-16)29(27,28)17-6-2-1-3-7-17/h1-8,13,16H,9-12,14-15H2,(H,21,26).
What are the key properties of 1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 134014213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).