1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid

C22H29F3N2O4 — CID 118742631

IUPAC1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC2(CC1)CC(N1CCOCC1)c1ccc(C)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H28N2O2.C2HF3O2/c1-15-3-4-17-18(13-15)20(5-7-21(8-6-20)16(2)23)14-19(17)22-9-11-24-12-10-22;3-2(4,5)1(6)7/h3-4,13,19H,5-12,14H2,1-2H3;(H,6,7)
InChIKeyGOBKGJIMOZYGLI-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.29
Rot. Bonds1

About 1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid

1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid (PubChem CID 118742631) has the molecular formula C22H29F3N2O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
PubChem CID118742631
Molecular FormulaC22H29F3N2O4
Molecular Weight442.48 g/mol
Exact Mass442.21
IUPAC Name1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC2(CC1)CC(N1CCOCC1)c1ccc(C)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H28N2O2.C2HF3O2/c1-15-3-4-17-18(13-15)20(5-7-21(8-6-20)16(2)23)14-19(17)22-9-11-24-12-10-22;3-2(4,5)1(6)7/h3-4,13,19H,5-12,14H2,1-2H3;(H,6,7)
InChIKeyGOBKGJIMOZYGLI-UHFFFAOYSA-N
XLogP3.29
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 118738948
1-(5-Methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 118742632
1-(6-Methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 118742634
Cyclopropyl-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 118742639
4-[1'-(2-Methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine
CID 118746587
4-[1'-(2-Methoxyethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine
CID 118746589
US20250387403, Example Table1.13
CID 170403626
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
N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
CID 118744724
N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
CID 118744861
2-[1-(Dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 118745800

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid (CID 118742631) is 1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCC2(CC1)CC(N1CCOCC1)c1ccc(C)cc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is GOBKGJIMOZYGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.C2HF3O2/c1-15-3-4-17-18(13-15)20(5-7-21(8-6-20)16(2)23)14-19(17)22-9-11-24-12-10-22;3-2(4,5)1(6)7/h3-4,13,19H,5-12,14H2,1-2H3;(H,6,7).
What are the key properties of 1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid?
1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 442.48 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).