N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

C22H29F3N2O4 — CID 155857323

IUPACN-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CC1)CC(NC(=O)C1CC1)c1ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H28N2O2.C2HF3O2/c1-24-13-12-22-10-8-20(9-11-22)14-18(21-19(23)15-6-7-15)16-4-2-3-5-17(16)20;3-2(4,5)1(6)7/h2-5,15,18H,6-14H2,1H3,(H,21,23);(H,6,7)
InChIKeyXTWVKFMBDXCZIO-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.27
Rot. Bonds5

About N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155857323) has the molecular formula C22H29F3N2O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID155857323
Molecular FormulaC22H29F3N2O4
Molecular Weight442.48 g/mol
Exact Mass442.21
IUPAC NameN-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CC1)CC(NC(=O)C1CC1)c1ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H28N2O2.C2HF3O2/c1-24-13-12-22-10-8-20(9-11-22)14-18(21-19(23)15-6-7-15)16-4-2-3-5-17(16)20;3-2(4,5)1(6)7/h2-5,15,18H,6-14H2,1H3,(H,21,23);(H,6,7)
InChIKeyXTWVKFMBDXCZIO-UHFFFAOYSA-N
XLogP3.27
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;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

4-(Morpholin-4-yl)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)butanimidic acid
CID 115639
N-[1'-[2-(dimethylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide
CID 118740898
N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide
CID 118744862
4-(1-Acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutanoic acid
CID 134787500
1-(5-Methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
CID 118742631
1-(6-Methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 118742633
Cyclopropyl-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742638
3-[1'-(Cyclopropylmethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid
CID 118743343
N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
CID 118744717
1-[1-(Dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]cyclopropane-1-carbonitrile;2,2,2-trifluoroacetic acid
CID 118744719
N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
CID 118744724
N-[1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
CID 118744853

Frequently Asked Questions

What is the IUPAC name of N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (CID 155857323) is N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is COCCN1CCC2(CC1)CC(NC(=O)C1CC1)c1ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is XTWVKFMBDXCZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.C2HF3O2/c1-24-13-12-22-10-8-20(9-11-22)14-18(21-19(23)15-6-7-15)16-4-2-3-5-17(16)20;3-2(4,5)1(6)7/h2-5,15,18H,6-14H2,1H3,(H,21,23);(H,6,7).
What are the key properties of N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 442.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155857323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).