[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C21H17F5N4O — CID 167869993

IUPAC[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCC(Nc2cnc3cc(F)c(F)cc3n2)CC1
InChIInChI=1S/C21H17F5N4O/c22-15-9-17-18(10-16(15)23)29-19(11-27-17)28-12-5-7-30(8-6-12)20(31)13-3-1-2-4-14(13)21(24,25)26/h1-4,9-12H,5-8H2,(H,28,29)
InChIKeyPWGXHYVLYMJVBS-UHFFFAOYSA-N
MW436.38 g/mol
LogP4.64
Rot. Bonds3

About [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 167869993) has the molecular formula C21H17F5N4O and a molecular weight of 436.38 g/mol. Its IUPAC name is [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID167869993
Molecular FormulaC21H17F5N4O
Molecular Weight436.38 g/mol
Exact Mass436.13
IUPAC Name[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCC(Nc2cnc3cc(F)c(F)cc3n2)CC1
InChIInChI=1S/C21H17F5N4O/c22-15-9-17-18(10-16(15)23)29-19(11-27-17)28-12-5-7-30(8-6-12)20(31)13-3-1-2-4-14(13)21(24,25)26/h1-4,9-12H,5-8H2,(H,28,29)
InChIKeyPWGXHYVLYMJVBS-UHFFFAOYSA-N
XLogP4.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 167869993) is [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2cnc3cc(F)c(F)cc3n2)CC1.
What is the InChIKey of [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is PWGXHYVLYMJVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F5N4O/c22-15-9-17-18(10-16(15)23)29-19(11-27-17)28-12-5-7-30(8-6-12)20(31)13-3-1-2-4-14(13)21(24,25)26/h1-4,9-12H,5-8H2,(H,28,29).
What are the key properties of [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 436.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 167869993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).