2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid

C20H26F4N2O3 — CID 118743058

IUPAC2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC2(CC1)CC(CC(N)=O)c1ccc(F)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25FN2O.C2HF3O2/c1-12(2)21-7-5-18(6-8-21)11-13(9-17(20)22)15-4-3-14(19)10-16(15)18;3-2(4,5)1(6)7/h3-4,10,12-13H,5-9,11H2,1-2H3,(H2,20,22);(H,6,7)
InChIKeyQCXIHIDJLYHEOI-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.56
Rot. Bonds3

About 2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid

2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118743058) has the molecular formula C20H26F4N2O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID118743058
Molecular FormulaC20H26F4N2O3
Molecular Weight418.43 g/mol
Exact Mass418.19
IUPAC Name2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC2(CC1)CC(CC(N)=O)c1ccc(F)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25FN2O.C2HF3O2/c1-12(2)21-7-5-18(6-8-21)11-13(9-17(20)22)15-4-3-14(19)10-16(15)18;3-2(4,5)1(6)7/h3-4,10,12-13H,5-9,11H2,1-2H3,(H2,20,22);(H,6,7)
InChIKeyQCXIHIDJLYHEOI-UHFFFAOYSA-N
XLogP3.56
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-Fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118739125
2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide
CID 118739127
2-(5-Fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
CID 118739129
2-(1'-ethyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
CID 118740882
2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
CID 118740890
2-(6-Fluoro-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)-N-methylacetamide
CID 118740891
2-(6-Fluoro-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)-N,N-dimethylacetamide
CID 118741143
2-(5-Fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
CID 118743059
2-(5-Fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
CID 118744823
2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 118745353
trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53470096
N-cyclopropyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 118742404

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid (CID 118743058) is 2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid is CC(C)N1CCC2(CC1)CC(CC(N)=O)c1ccc(F)cc12.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is QCXIHIDJLYHEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O.C2HF3O2/c1-12(2)21-7-5-18(6-8-21)11-13(9-17(20)22)15-4-3-14(19)10-16(15)18;3-2(4,5)1(6)7/h3-4,10,12-13H,5-9,11H2,1-2H3,(H2,20,22);(H,6,7).
What are the key properties of 2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid?
2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 418.43 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).