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

C18H21N5OS — CID 53203052

IUPACN-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C18H21N5OS/c24-17(19-9-6-15-4-3-13-25-15)14-7-11-22(12-8-14)18-21-20-16-5-1-2-10-23(16)18/h1-5,10,13-14H,6-9,11-12H2,(H,19,24)
InChIKeyFEKKPDWAAUZVNN-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.37
Rot. Bonds5

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

N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide (PubChem CID 53203052) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
PubChem CID53203052
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C18H21N5OS/c24-17(19-9-6-15-4-3-13-25-15)14-7-11-22(12-8-14)18-21-20-16-5-1-2-10-23(16)18/h1-5,10,13-14H,6-9,11-12H2,(H,19,24)
InChIKeyFEKKPDWAAUZVNN-UHFFFAOYSA-N
XLogP2.37
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide (CID 53203052) is N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide is O=C(NCCc1cccs1)C1CCN(c2nnc3ccccn23)CC1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
The InChIKey is FEKKPDWAAUZVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c24-17(19-9-6-15-4-3-13-25-15)14-7-11-22(12-8-14)18-21-20-16-5-1-2-10-23(16)18/h1-5,10,13-14H,6-9,11-12H2,(H,19,24).
What are the key properties of N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide?
N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53203052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).