2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide

C22H21F3N4O3 — CID 126953341

IUPAC2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(OC3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)cccc21
InChIInChI=1S/C22H21F3N4O3/c23-22(24,25)19-5-4-14(12-27-19)21(31)28-9-6-15(7-10-28)32-18-3-1-2-17-16(18)8-11-29(17)13-20(26)30/h1-5,8,11-12,15H,6-7,9-10,13H2,(H2,26,30)
InChIKeyGSBRNDAOTJYAFA-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.22
Rot. Bonds5

About 2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide

2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide (PubChem CID 126953341) has the molecular formula C22H21F3N4O3 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
PubChem CID126953341
Molecular FormulaC22H21F3N4O3
Molecular Weight446.43 g/mol
Exact Mass446.16
IUPAC Name2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(OC3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)cccc21
InChIInChI=1S/C22H21F3N4O3/c23-22(24,25)19-5-4-14(12-27-19)21(31)28-9-6-15(7-10-28)32-18-3-1-2-17-16(18)8-11-29(17)13-20(26)30/h1-5,8,11-12,15H,6-7,9-10,13H2,(H2,26,30)
InChIKeyGSBRNDAOTJYAFA-UHFFFAOYSA-N
XLogP3.22
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953365
2-[4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953392
2-[4-[1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953334
2-[4-[1-(2-hydroxycyclohexyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953583
[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 126952735
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 124728047
2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide
CID 126953445
2-[4-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953420
2-[4-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953562
2-[4-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953538

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
The IUPAC name of 2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide (CID 126953341) is 2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide is NC(=O)Cn1ccc2c(OC3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)cccc21.
What is the InChIKey of 2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
The InChIKey is GSBRNDAOTJYAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3/c23-22(24,25)19-5-4-14(12-27-19)21(31)28-9-6-15(7-10-28)32-18-3-1-2-17-16(18)8-11-29(17)13-20(26)30/h1-5,8,11-12,15H,6-7,9-10,13H2,(H2,26,30).
What are the key properties of 2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide has a molecular weight of 446.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide is sourced from PubChem (CID 126953341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).