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

C18H21N5OS — CID 95114598

IUPAC(3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccs1)[C@H]1CCCN(c2nnc3ccccn23)C1
InChIInChI=1S/C18H21N5OS/c24-17(19-9-8-15-6-4-12-25-15)14-5-3-10-22(13-14)18-21-20-16-7-1-2-11-23(16)18/h1-2,4,6-7,11-12,14H,3,5,8-10,13H2,(H,19,24)/t14-/m0/s1
InChIKeyUDTOAUDSYBOXCL-AWEZNQCLSA-N
MW355.47 g/mol
LogP2.37
Rot. Bonds5

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

(3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 95114598) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is (3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
PubChem CID95114598
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name(3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccs1)[C@H]1CCCN(c2nnc3ccccn23)C1
InChIInChI=1S/C18H21N5OS/c24-17(19-9-8-15-6-4-12-25-15)14-5-3-10-22(13-14)18-21-20-16-7-1-2-11-23(16)18/h1-2,4,6-7,11-12,14H,3,5,8-10,13H2,(H,19,24)/t14-/m0/s1
InChIKeyUDTOAUDSYBOXCL-AWEZNQCLSA-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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Related Compounds

1-(6-morpholin-4-ylpyridazin-3-yl)-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46329050
(3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114585
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53203178
(3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114823
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-3-carboxamide
CID 96557373
N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203022
N-(3-ethylphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203140
2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 42160833
(3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 95115191
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
(3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114780
2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 42200923

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (CID 95114598) is (3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is O=C(NCCc1cccs1)[C@H]1CCCN(c2nnc3ccccn23)C1.
What is the InChIKey of (3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is UDTOAUDSYBOXCL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5OS/c24-17(19-9-8-15-6-4-12-25-15)14-5-3-10-22(13-14)18-21-20-16-7-1-2-11-23(16)18/h1-2,4,6-7,11-12,14H,3,5,8-10,13H2,(H,19,24)/t14-/m0/s1.
What are the key properties of (3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
(3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-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 (3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95114598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).