[1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide

C22H19F3N4O2 — CID 87325432

IUPAC[1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide
SMILESN#CNC1=Nc2ccccc2C12CCN(C(=O)COc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)16-6-2-4-8-18(16)31-13-19(30)29-11-9-21(10-12-29)15-5-1-3-7-17(15)28-20(21)27-14-26/h1-8H,9-13H2,(H,27,28)
InChIKeyWNINAAALLLOHHL-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.76
Rot. Bonds3

About [1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide

[1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide (PubChem CID 87325432) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is [1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide.

Molecular Properties

Compound Name[1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide
PubChem CID87325432
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name[1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide
SMILESN#CNC1=Nc2ccccc2C12CCN(C(=O)COc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)16-6-2-4-8-18(16)31-13-19(30)29-11-9-21(10-12-29)15-5-1-3-7-17(15)28-20(21)27-14-26/h1-8H,9-13H2,(H,27,28)
InChIKeyWNINAAALLLOHHL-UHFFFAOYSA-N
XLogP3.76
TPSA77.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorospiro[indene-1,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 44611987
1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one
CID 59862930
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 22265251
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 95607032
1-[3-(methylamino)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119493476
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 55950590
spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 158524628
2-(2-methoxyphenoxy)-1-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 113078007
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
N-(2-ethylphenyl)-2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 39015022
1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 119355551
1-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 86905549

Frequently Asked Questions

What is the IUPAC name of [1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide?
The IUPAC name of [1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide (CID 87325432) is [1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide.
What is the SMILES notation for [1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide?
The canonical SMILES for [1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide is N#CNC1=Nc2ccccc2C12CCN(C(=O)COc1ccccc1C(F)(F)F)CC2.
What is the InChIKey of [1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide?
The InChIKey is WNINAAALLLOHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c23-22(24,25)16-6-2-4-8-18(16)31-13-19(30)29-11-9-21(10-12-29)15-5-1-3-7-17(15)28-20(21)27-14-26/h1-8H,9-13H2,(H,27,28).
What are the key properties of [1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide?
[1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide has a molecular weight of 428.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-yl]cyanamide is sourced from PubChem (CID 87325432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).