(4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone

C23H19F2N5O2 — CID 134142016

IUPAC(4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccnc3ccccc23)C1
InChIInChI=1S/C23H19F2N5O2/c24-23(25)10-14-29(22(31)17-6-2-4-8-19(17)30-27-12-13-28-30)15-21(23)32-20-9-11-26-18-7-3-1-5-16(18)20/h1-9,11-13,21H,10,14-15H2
InChIKeyOUOJQVWBENPULA-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.74
Rot. Bonds4

About (4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone

(4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 134142016) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
PubChem CID134142016
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC Name(4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccnc3ccccc23)C1
InChIInChI=1S/C23H19F2N5O2/c24-23(25)10-14-29(22(31)17-6-2-4-8-19(17)30-27-12-13-28-30)15-21(23)32-20-9-11-26-18-7-3-1-5-16(18)20/h1-9,11-13,21H,10,14-15H2
InChIKeyOUOJQVWBENPULA-UHFFFAOYSA-N
XLogP3.74
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-3-trifluoromethyl-1H-pyridin-2-one
CID 44191040
5-(3,5-difluorophenyl)-3-[(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl]triazolo[4,5-c]pyridin-4-one
CID 44512939
[(2R,5R)-5-isoquinolin-1-yloxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 45259003
[(2S,3R)-3-(isoquinolin-1-yloxymethyl)-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 45259004
3-(2-Quinolin-4-yl-2H-pyrazol-3-yl)-1-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-1H-pyridazin-4-one
CID 46209520
[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212134
[(2R,5R)-5-(4-methoxyisoquinolin-1-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212296
US9546152, example 1
CID 74222158
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone
CID 77107393
[(2R,5R)-2-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86291876
[(2R,5R)-5-[(4-iodo-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86291877
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 90298426

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone (CID 134142016) is (4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccnc3ccccc23)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is OUOJQVWBENPULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c24-23(25)10-14-29(22(31)17-6-2-4-8-19(17)30-27-12-13-28-30)15-21(23)32-20-9-11-26-18-7-3-1-5-16(18)20/h1-9,11-13,21H,10,14-15H2.
What are the key properties of (4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
(4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 435.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 134142016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).