[(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone

C18H22N4OS — CID 133143529

IUPAC[(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2ccsc2)NN1)N1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C18H22N4OS/c23-18(16-10-15(20-21-16)14-6-9-24-12-14)22-8-2-1-5-17(22)13-4-3-7-19-11-13/h3-4,6-7,9,11-12,15-17,20-21H,1-2,5,8,10H2/t15?,16?,17-/m1/s1
InChIKeyDYYFREPVJYAABS-OFLPRAFFSA-N
MW342.47 g/mol
LogP2.80
Rot. Bonds3

About [(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone

[(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone (PubChem CID 133143529) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is [(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone
PubChem CID133143529
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name[(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2ccsc2)NN1)N1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C18H22N4OS/c23-18(16-10-15(20-21-16)14-6-9-24-12-14)22-8-2-1-5-17(22)13-4-3-7-19-11-13/h3-4,6-7,9,11-12,15-17,20-21H,1-2,5,8,10H2/t15?,16?,17-/m1/s1
InChIKeyDYYFREPVJYAABS-OFLPRAFFSA-N
XLogP2.80
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone with MolForge

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Related Compounds

[5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 134067514
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 136577377
[1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51949199
piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 54871703
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 134127697
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
morpholin-4-yl-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 3810055
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone?
The IUPAC name of [(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone (CID 133143529) is [(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone.
What is the SMILES notation for [(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone?
The canonical SMILES for [(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone is O=C(C1CC(c2ccsc2)NN1)N1CCCC[C@@H]1c1cccnc1.
What is the InChIKey of [(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone?
The InChIKey is DYYFREPVJYAABS-OFLPRAFFSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-18(16-10-15(20-21-16)14-6-9-24-12-14)22-8-2-1-5-17(22)13-4-3-7-19-11-13/h3-4,6-7,9,11-12,15-17,20-21H,1-2,5,8,10H2/t15?,16?,17-/m1/s1.
What are the key properties of [(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone?
[(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone has a molecular weight of 342.47 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 133143529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).