(2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide

C15H20N6OS — CID 126433364

IUPAC(2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCSc1cn[nH]n1)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C15H20N6OS/c22-15(17-7-9-23-14-11-18-20-19-14)21-8-2-1-5-13(21)12-4-3-6-16-10-12/h3-4,6,10-11,13H,1-2,5,7-9H2,(H,17,22)(H,18,19,20)/t13-/m0/s1
InChIKeyPPUNWKSGFIPUGA-ZDUSSCGKSA-N
MW332.43 g/mol
LogP2.23
Rot. Bonds5

About (2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide

(2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide (PubChem CID 126433364) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is (2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide
PubChem CID126433364
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name(2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCSc1cn[nH]n1)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C15H20N6OS/c22-15(17-7-9-23-14-11-18-20-19-14)21-8-2-1-5-13(21)12-4-3-6-16-10-12/h3-4,6,10-11,13H,1-2,5,7-9H2,(H,17,22)(H,18,19,20)/t13-/m0/s1
InChIKeyPPUNWKSGFIPUGA-ZDUSSCGKSA-N
XLogP2.23
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrrolidine-3-carboxamide
CID 97198277
2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 136577377
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(2R)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 126423361
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 110210193
N-(4-methoxybenzoyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 23738906
morpholin-4-yl-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 3810055

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide (CID 126433364) is (2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide is O=C(NCCSc1cn[nH]n1)N1CCCC[C@H]1c1cccnc1.
What is the InChIKey of (2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide?
The InChIKey is PPUNWKSGFIPUGA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N6OS/c22-15(17-7-9-23-14-11-18-20-19-14)21-8-2-1-5-13(21)12-4-3-6-16-10-12/h3-4,6,10-11,13H,1-2,5,7-9H2,(H,17,22)(H,18,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide?
(2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 126433364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).