pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone

C15H17N3OS — CID 95845120

IUPACpyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCC[C@H](Cc2nccs2)C1
InChIInChI=1S/C15H17N3OS/c19-15(13-5-1-2-6-16-13)18-8-3-4-12(11-18)10-14-17-7-9-20-14/h1-2,5-7,9,12H,3-4,8,10-11H2/t12-/m1/s1
InChIKeyRNZYTUUOQGUXIP-GFCCVEGCSA-N
MW287.39 g/mol
LogP2.63
Rot. Bonds3

About pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone

pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 95845120) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID95845120
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Namepyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCC[C@H](Cc2nccs2)C1
InChIInChI=1S/C15H17N3OS/c19-15(13-5-1-2-6-16-13)18-8-3-4-12(11-18)10-14-17-7-9-20-14/h1-2,5-7,9,12H,3-4,8,10-11H2/t12-/m1/s1
InChIKeyRNZYTUUOQGUXIP-GFCCVEGCSA-N
XLogP2.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 125006896
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
(5-methylpyrazin-2-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845298
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
[3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110661869
[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844761
(4-methoxyphenyl)-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844873
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 110270918
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845437

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone (CID 95845120) is pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccccn1)N1CCC[C@H](Cc2nccs2)C1.
What is the InChIKey of pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is RNZYTUUOQGUXIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15(13-5-1-2-6-16-13)18-8-3-4-12(11-18)10-14-17-7-9-20-14/h1-2,5-7,9,12H,3-4,8,10-11H2/t12-/m1/s1.
What are the key properties of pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 287.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95845120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).