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

C21H23F3N6O2 — CID 129240814

IUPACN-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide
SMILESN#Cc1ccc(N2C[C@@H](NC(=O)CN3CCOCC3)C[C@@H](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)/t15-,16+/m1/s1
InChIKeyLJIJPWSKLRHGII-CVEARBPZSA-N
MW448.45 g/mol
LogP1.71
Rot. Bonds4

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

N-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide (PubChem CID 129240814) has the molecular formula C21H23F3N6O2 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide
PubChem CID129240814
Molecular FormulaC21H23F3N6O2
Molecular Weight448.45 g/mol
Exact Mass448.18
IUPAC NameN-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide
SMILESN#Cc1ccc(N2C[C@@H](NC(=O)CN3CCOCC3)C[C@@H](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)/t15-,16+/m1/s1
InChIKeyLJIJPWSKLRHGII-CVEARBPZSA-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-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide (CID 129240814) is N-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide is N#Cc1ccc(N2C[C@@H](NC(=O)CN3CCOCC3)C[C@@H](C(F)(F)F)C2)c2nccnc12.
What is the InChIKey of N-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide?
The InChIKey is LJIJPWSKLRHGII-CVEARBPZSA-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)/t15-,16+/m1/s1.
What are the key properties of N-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide?
N-[(3S,5R)-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-[(3S,5R)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 129240814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).