5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one

C23H24F3N3O2 — CID 89148806

IUPAC5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)CCc3ccccc3C(F)(F)F)CC2)c2cc(N)ccc21
InChIInChI=1S/C23H24F3N3O2/c1-28-19-8-7-16(27)14-18(19)22(21(28)31)10-12-29(13-11-22)20(30)9-6-15-4-2-3-5-17(15)23(24,25)26/h2-5,7-8,14H,6,9-13,27H2,1H3
InChIKeyOIKHURJELRKUJC-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.76
Rot. Bonds3

About 5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one

5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 89148806) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID89148806
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)CCc3ccccc3C(F)(F)F)CC2)c2cc(N)ccc21
InChIInChI=1S/C23H24F3N3O2/c1-28-19-8-7-16(27)14-18(19)22(21(28)31)10-12-29(13-11-22)20(30)9-6-15-4-2-3-5-17(15)23(24,25)26/h2-5,7-8,14H,6,9-13,27H2,1H3
InChIKeyOIKHURJELRKUJC-UHFFFAOYSA-N
XLogP3.76
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one
CID 89415874
1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carbaldehyde
CID 88934886
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-2-one
CID 67224028
1-(2-methylsulfanylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 143857071
5-[hydroxy-(2-hydroxyethylamino)methyl]-1-methyl-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-2-one
CID 163970330
N-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide
CID 58295807
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
2-aminoethanol;N-(2-hydroxyethyl)-1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxamide;1-methyl-2-oxo-1'-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-5-carboxylic acid
CID 159280517
3-(2-aminophenyl)-1-(4,4-diethylpiperidin-1-yl)propan-1-one
CID 63162343
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
3-(2-aminophenyl)-1-(4-hydroxy-4-methylazepan-1-yl)propan-1-one
CID 107404224

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one (CID 89148806) is 5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(C(=O)CCc3ccccc3C(F)(F)F)CC2)c2cc(N)ccc21.
What is the InChIKey of 5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is OIKHURJELRKUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-28-19-8-7-16(27)14-18(19)22(21(28)31)10-12-29(13-11-22)20(30)9-6-15-4-2-3-5-17(15)23(24,25)26/h2-5,7-8,14H,6,9-13,27H2,1H3.
What are the key properties of 5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one?
5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 431.46 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 89148806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).