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

C22H18F2N6O2 — CID 90298382

IUPAC(4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C22H18F2N6O2/c23-22(24)9-12-29(21(31)15-5-1-4-8-18(15)30-26-10-11-27-30)14-19(22)32-20-13-25-16-6-2-3-7-17(16)28-20/h1-8,10-11,13,19H,9,12,14H2
InChIKeyXDXUAHLLFAFWCF-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.14
Rot. Bonds4

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

(4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 90298382) has the molecular formula C22H18F2N6O2 and a molecular weight of 436.42 g/mol. Its IUPAC name is (4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
PubChem CID90298382
Molecular FormulaC22H18F2N6O2
Molecular Weight436.42 g/mol
Exact Mass436.15
IUPAC Name(4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C22H18F2N6O2/c23-22(24)9-12-29(21(31)15-5-1-4-8-18(15)30-26-10-11-27-30)14-19(22)32-20-13-25-16-6-2-3-7-17(16)28-20/h1-8,10-11,13,19H,9,12,14H2
InChIKeyXDXUAHLLFAFWCF-UHFFFAOYSA-N
XLogP3.14
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of (4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone (CID 90298382) is (4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for (4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for (4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2cnc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is XDXUAHLLFAFWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O2/c23-22(24)9-12-29(21(31)15-5-1-4-8-18(15)30-26-10-11-27-30)14-19(22)32-20-13-25-16-6-2-3-7-17(16)28-20/h1-8,10-11,13,19H,9,12,14H2.
What are the key properties of (4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
(4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 436.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-quinoxalin-2-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 90298382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).