1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one

C24H28F2N2O2 — CID 90035004

IUPAC1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CNc1c(OCc3ccccc3)cc(F)c(F)c12
InChIInChI=1S/C24H28F2N2O2/c1-23(2,3)22(29)28-11-9-24(10-12-28)15-27-21-18(13-17(25)20(26)19(21)24)30-14-16-7-5-4-6-8-16/h4-8,13,27H,9-12,14-15H2,1-3H3
InChIKeyBTFXNLWAPNBXFX-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.88
Rot. Bonds3

About 1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one

1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one (PubChem CID 90035004) has the molecular formula C24H28F2N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one
PubChem CID90035004
Molecular FormulaC24H28F2N2O2
Molecular Weight414.50 g/mol
Exact Mass414.21
IUPAC Name1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC2(CC1)CNc1c(OCc3ccccc3)cc(F)c(F)c12
InChIInChI=1S/C24H28F2N2O2/c1-23(2,3)22(29)28-11-9-24(10-12-28)15-27-21-18(13-17(25)20(26)19(21)24)30-14-16-7-5-4-6-8-16/h4-8,13,27H,9-12,14-15H2,1-3H3
InChIKeyBTFXNLWAPNBXFX-UHFFFAOYSA-N
XLogP4.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one 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-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one (CID 90035004) is 1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC2(CC1)CNc1c(OCc3ccccc3)cc(F)c(F)c12.
What is the InChIKey of 1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one?
The InChIKey is BTFXNLWAPNBXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O2/c1-23(2,3)22(29)28-11-9-24(10-12-28)15-27-21-18(13-17(25)20(26)19(21)24)30-14-16-7-5-4-6-8-16/h4-8,13,27H,9-12,14-15H2,1-3H3.
What are the key properties of 1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one?
1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one has a molecular weight of 414.50 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-7-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 90035004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).