(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone

C16H15ClFN3O2 — CID 125139170

IUPAC(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccn1)N1CCC[C@@H](Oc2ncccc2F)C1
InChIInChI=1S/C16H15ClFN3O2/c17-11-5-7-19-14(9-11)16(22)21-8-2-3-12(10-21)23-15-13(18)4-1-6-20-15/h1,4-7,9,12H,2-3,8,10H2/t12-/m1/s1
InChIKeyBIAUIMRMWMGBDY-GFCCVEGCSA-N
MW335.77 g/mol
LogP2.95
Rot. Bonds3

About (4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone

(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 125139170) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID125139170
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccn1)N1CCC[C@@H](Oc2ncccc2F)C1
InChIInChI=1S/C16H15ClFN3O2/c17-11-5-7-19-14(9-11)16(22)21-8-2-3-12(10-21)23-15-13(18)4-1-6-20-15/h1,4-7,9,12H,2-3,8,10H2/t12-/m1/s1
InChIKeyBIAUIMRMWMGBDY-GFCCVEGCSA-N
XLogP2.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124738553
[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 128572366
3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid
CID 122018323
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
[(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 124874061
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
4-[1-(2,6-difluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256720
(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 99739432
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 91628265
2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine
CID 136537499
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122257904

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone (CID 125139170) is (4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone is O=C(c1cc(Cl)ccn1)N1CCC[C@@H](Oc2ncccc2F)C1.
What is the InChIKey of (4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is BIAUIMRMWMGBDY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c17-11-5-7-19-14(9-11)16(22)21-8-2-3-12(10-21)23-15-13(18)4-1-6-20-15/h1,4-7,9,12H,2-3,8,10H2/t12-/m1/s1.
What are the key properties of (4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone?
(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 335.77 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 125139170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).