N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide

C23H22F3N3O2 — CID 2461519

IUPACN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)17-9-10-19(29-12-2-1-3-13-29)18(14-17)28-21(30)15-31-20-8-4-6-16-7-5-11-27-22(16)20/h4-11,14H,1-3,12-13,15H2,(H,28,30)
InChIKeyIXJGJRNNDZMYLI-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.26
Rot. Bonds5

About N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide (PubChem CID 2461519) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
PubChem CID2461519
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)Nc1cc(C(F)(F)F)ccc1N1CCCCC1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)17-9-10-19(29-12-2-1-3-13-29)18(14-17)28-21(30)15-31-20-8-4-6-16-7-5-11-27-22(16)20/h4-11,14H,1-3,12-13,15H2,(H,28,30)
InChIKeyIXJGJRNNDZMYLI-UHFFFAOYSA-N
XLogP5.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1396653
2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7581490
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029
N-[2-(4-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
CID 2594639
2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27555622
2-(4-formylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78812801
N-(2-pyrrolidin-1-ylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39095289
2-(4-propan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 5189978
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470932
trans-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230652
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
2-(3-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55380507

Frequently Asked Questions

What is the IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide (CID 2461519) is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide is O=C(COc1cccc2cccnc12)Nc1cc(C(F)(F)F)ccc1N1CCCCC1.
What is the InChIKey of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide?
The InChIKey is IXJGJRNNDZMYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c24-23(25,26)17-9-10-19(29-12-2-1-3-13-29)18(14-17)28-21(30)15-31-20-8-4-6-16-7-5-11-27-22(16)20/h4-11,14H,1-3,12-13,15H2,(H,28,30).
What are the key properties of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide?
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide has a molecular weight of 429.44 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 2461519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).