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

C27H29F3N2O3 — CID 89415874

IUPAC1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one
SMILESC=C(OC)c1ccc2c(c1)C1(CCN(C(=O)CCc3ccccc3C(F)(F)F)CC1)C(=O)N2CC
InChIInChI=1S/C27H29F3N2O3/c1-4-32-23-11-9-20(18(2)35-3)17-22(23)26(25(32)34)13-15-31(16-14-26)24(33)12-10-19-7-5-6-8-21(19)27(28,29)30/h5-9,11,17H,2,4,10,12-16H2,1,3H3
InChIKeyFGBIJQVGNAFSFT-UHFFFAOYSA-N
MW486.53 g/mol
LogP5.18
Rot. Bonds6

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

1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 89415874) has the molecular formula C27H29F3N2O3 and a molecular weight of 486.53 g/mol. Its IUPAC name is 1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID89415874
Molecular FormulaC27H29F3N2O3
Molecular Weight486.53 g/mol
Exact Mass486.21
IUPAC Name1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one
SMILESC=C(OC)c1ccc2c(c1)C1(CCN(C(=O)CCc3ccccc3C(F)(F)F)CC1)C(=O)N2CC
InChIInChI=1S/C27H29F3N2O3/c1-4-32-23-11-9-20(18(2)35-3)17-22(23)26(25(32)34)13-15-31(16-14-26)24(33)12-10-19-7-5-6-8-21(19)27(28,29)30/h5-9,11,17H,2,4,10,12-16H2,1,3H3
InChIKeyFGBIJQVGNAFSFT-UHFFFAOYSA-N
XLogP5.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one
CID 89148806
N-methyl-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide
CID 58295807
1-(2-methylsulfanylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 143857071
1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one
CID 59862930
1-(4,4-dimethoxypiperidin-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 112534879
5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84618269
3-(2-aminophenyl)-1-(4,4-diethylpiperidin-1-yl)propan-1-one
CID 63162343
2-oxo-1-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-indole-5-carboxamide
CID 71840690
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 71137112
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120808466
2-methyl-9-[2-[2-(trifluoromethyl)phenyl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72939452

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one (CID 89415874) is 1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one is C=C(OC)c1ccc2c(c1)C1(CCN(C(=O)CCc3ccccc3C(F)(F)F)CC1)C(=O)N2CC.
What is the InChIKey of 1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is FGBIJQVGNAFSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N2O3/c1-4-32-23-11-9-20(18(2)35-3)17-22(23)26(25(32)34)13-15-31(16-14-26)24(33)12-10-19-7-5-6-8-21(19)27(28,29)30/h5-9,11,17H,2,4,10,12-16H2,1,3H3.
What are the key properties of 1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one?
1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 486.53 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(1-methoxyethenyl)-1'-[3-[2-(trifluoromethyl)phenyl]propanoyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 89415874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).