[(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C20H21N5OS — CID 118183265

IUPAC[(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Sc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H21N5OS/c1-15-9-10-16(27-19-8-4-5-11-21-19)14-24(15)20(26)17-6-2-3-7-18(17)25-22-12-13-23-25/h2-8,11-13,15-16H,9-10,14H2,1H3/t15-,16-/m1/s1
InChIKeyAFVGZFLQFREUHJ-HZPDHXFCSA-N
MW379.49 g/mol
LogP3.45
Rot. Bonds4

About [(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 118183265) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID118183265
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name[(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Sc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H21N5OS/c1-15-9-10-16(27-19-8-4-5-11-21-19)14-24(15)20(26)17-6-2-3-7-18(17)25-22-12-13-23-25/h2-8,11-13,15-16H,9-10,14H2,1H3/t15-,16-/m1/s1
InChIKeyAFVGZFLQFREUHJ-HZPDHXFCSA-N
XLogP3.45
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

methyl 2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]sulfanylpyridine-3-carboxylate
CID 118175279
2-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]sulfanyl}pyridine-4-carbonitrile
CID 118167452
(2-Propylsulfanyl-3-pyridinyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60165658
[(2R,5S)-5-[2-(5-fluoro-2-pyridinyl)ethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90654339
[(2R,5S)-5-[(E)-2-(5-fluoro-2-pyridinyl)ethenyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90654340
[(2R,5S)-5-[(Z)-2-(5-fluoro-2-pyridinyl)ethenyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90654341
[(2R,5S)-2-methyl-5-(2-pyridin-2-ylethynyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90654342
[(2R,5S)-2-methyl-5-(2-pyridin-3-ylethynyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90654343
[(2R,5S)-2-methyl-5-(2-pyridin-4-ylethynyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90654344
[(2R,5R)-5-methyl-2-(pyridin-2-ylsulfanylmethyl)thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71526327
2-{[(3R,6R)-1-{[2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-6-methylpiperidin-3-yl]sulfanyl}pyridine-4-carbonitrile
CID 118167427
2-{[(3R,6R)-1-{[3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-6-methylpiperidin-3-yl]sulfanyl}pyridine-4-carbonitrile
CID 118167429

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 118183265) is [(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is C[C@@H]1CC[C@@H](Sc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is AFVGZFLQFREUHJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-15-9-10-16(27-19-8-4-5-11-21-19)14-24(15)20(26)17-6-2-3-7-18(17)25-22-12-13-23-25/h2-8,11-13,15-16H,9-10,14H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 379.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-pyridin-2-ylsulfanylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118183265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).