[(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone

C17H21F3N2O2 — CID 124874061

IUPAC[(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCC(F)(F)C1)N1CCC[C@H](Oc2ncccc2F)C1
InChIInChI=1S/C17H21F3N2O2/c18-14-6-2-8-21-15(14)24-13-5-3-9-22(11-13)16(23)12-4-1-7-17(19,20)10-12/h2,6,8,12-13H,1,3-5,7,9-11H2/t12-,13-/m0/s1
InChIKeyQLNOKKIPUXWKOZ-STQMWFEESA-N
MW342.36 g/mol
LogP3.42
Rot. Bonds3

About [(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone

[(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 124874061) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is [(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID124874061
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name[(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCC(F)(F)C1)N1CCC[C@H](Oc2ncccc2F)C1
InChIInChI=1S/C17H21F3N2O2/c18-14-6-2-8-21-15(14)24-13-5-3-9-22(11-13)16(23)12-4-1-7-17(19,20)10-12/h2,6,8,12-13H,1,3-5,7,9-11H2/t12-,13-/m0/s1
InChIKeyQLNOKKIPUXWKOZ-STQMWFEESA-N
XLogP3.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124738553
3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid
CID 122018323
(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 125139170
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270
[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 128572366
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97477596
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
(3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 139028488
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
[(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methylcyclohexyl)methanone
CID 155871177

Frequently Asked Questions

What is the IUPAC name of [(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of [(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone (CID 124874061) is [(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for [(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for [(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone is O=C([C@H]1CCCC(F)(F)C1)N1CCC[C@H](Oc2ncccc2F)C1.
What is the InChIKey of [(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is QLNOKKIPUXWKOZ-STQMWFEESA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-14-6-2-8-21-15(14)24-13-5-3-9-22(11-13)16(23)12-4-1-7-17(19,20)10-12/h2,6,8,12-13H,1,3-5,7,9-11H2/t12-,13-/m0/s1.
What are the key properties of [(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone?
[(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 342.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 124874061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).