[1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C24H25F3N2O — CID 59004141

IUPAC[1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESC=C(C)CN1CCC2(CC1)CN(C(=O)c1cccc(C(F)(F)F)c1)c1ccccc12
InChIInChI=1S/C24H25F3N2O/c1-17(2)15-28-12-10-23(11-13-28)16-29(21-9-4-3-8-20(21)23)22(30)18-6-5-7-19(14-18)24(25,26)27/h3-9,14H,1,10-13,15-16H2,2H3
InChIKeyRCAKMMVGJQDHCE-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.28
Rot. Bonds3

About [1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 59004141) has the molecular formula C24H25F3N2O and a molecular weight of 414.47 g/mol. Its IUPAC name is [1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID59004141
Molecular FormulaC24H25F3N2O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name[1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESC=C(C)CN1CCC2(CC1)CN(C(=O)c1cccc(C(F)(F)F)c1)c1ccccc12
InChIInChI=1S/C24H25F3N2O/c1-17(2)15-28-12-10-23(11-13-28)16-29(21-9-4-3-8-20(21)23)22(30)18-6-5-7-19(14-18)24(25,26)27/h3-9,14H,1,10-13,15-16H2,2H3
InChIKeyRCAKMMVGJQDHCE-UHFFFAOYSA-N
XLogP5.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 59004141) is [1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone is C=C(C)CN1CCC2(CC1)CN(C(=O)c1cccc(C(F)(F)F)c1)c1ccccc12.
What is the InChIKey of [1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is RCAKMMVGJQDHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O/c1-17(2)15-28-12-10-23(11-13-28)16-29(21-9-4-3-8-20(21)23)22(30)18-6-5-7-19(14-18)24(25,26)27/h3-9,14H,1,10-13,15-16H2,2H3.
What are the key properties of [1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 414.47 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 59004141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).