N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide

C21H23F3N6O2 — CID 129240807

IUPACN-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide
SMILESN#Cc1ccc(N2CC(NC(=O)CN3CCOCC3)CC(C(F)(F)F)C2)c2nccnc12
InChIInChI=1S/C21H23F3N6O2/c22-21(23,24)15-9-16(28-18(31)13-29-5-7-32-8-6-29)12-30(11-15)17-2-1-14(10-25)19-20(17)27-4-3-26-19/h1-4,15-16H,5-9,11-13H2,(H,28,31)
InChIKeyLJIJPWSKLRHGII-UHFFFAOYSA-N
MW448.45 g/mol
LogP1.71
Rot. Bonds4

About N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide

N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide (PubChem CID 129240807) has the molecular formula C21H23F3N6O2 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide
PubChem CID129240807
Molecular FormulaC21H23F3N6O2
Molecular Weight448.45 g/mol
Exact Mass448.18
IUPAC NameN-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide
SMILESN#Cc1ccc(N2CC(NC(=O)CN3CCOCC3)CC(C(F)(F)F)C2)c2nccnc12
InChIInChI=1S/C21H23F3N6O2/c22-21(23,24)15-9-16(28-18(31)13-29-5-7-32-8-6-29)12-30(11-15)17-2-1-14(10-25)19-20(17)27-4-3-26-19/h1-4,15-16H,5-9,11-13H2,(H,28,31)
InChIKeyLJIJPWSKLRHGII-UHFFFAOYSA-N
XLogP1.71
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide (CID 129240807) is N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide is N#Cc1ccc(N2CC(NC(=O)CN3CCOCC3)CC(C(F)(F)F)C2)c2nccnc12.
What is the InChIKey of N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide?
The InChIKey is LJIJPWSKLRHGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O2/c22-21(23,24)15-9-16(28-18(31)13-29-5-7-32-8-6-29)12-30(11-15)17-2-1-14(10-25)19-20(17)27-4-3-26-19/h1-4,15-16H,5-9,11-13H2,(H,28,31).
What are the key properties of N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide?
N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide has a molecular weight of 448.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 129240807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).