1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid

C23H31F3N2O4 — CID 118742633

IUPAC1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid
SMILESCCC(=O)N1CCC2(CC1)CC(N1CCOCC1)c1cc(C)ccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H30N2O2.C2HF3O2/c1-3-20(24)23-8-6-21(7-9-23)15-19(22-10-12-25-13-11-22)17-14-16(2)4-5-18(17)21;3-2(4,5)1(6)7/h4-5,14,19H,3,6-13,15H2,1-2H3;(H,6,7)
InChIKeyJPOWHTNZLKKGTN-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.68
Rot. Bonds2

About 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid

1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 118742633) has the molecular formula C23H31F3N2O4 and a molecular weight of 456.51 g/mol. Its IUPAC name is 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid
PubChem CID118742633
Molecular FormulaC23H31F3N2O4
Molecular Weight456.51 g/mol
Exact Mass456.22
IUPAC Name1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid
SMILESCCC(=O)N1CCC2(CC1)CC(N1CCOCC1)c1cc(C)ccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H30N2O2.C2HF3O2/c1-3-20(24)23-8-6-21(7-9-23)15-19(22-10-12-25-13-11-22)17-14-16(2)4-5-18(17)21;3-2(4,5)1(6)7/h4-5,14,19H,3,6-13,15H2,1-2H3;(H,6,7)
InChIKeyJPOWHTNZLKKGTN-UHFFFAOYSA-N
XLogP3.68
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-Hydroxyethyl)piperidin-4-yl]-[5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-9-yl]methanone
CID 170341190
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-(5-Methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
CID 118742631
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

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 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) is 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid is CCC(=O)N1CCC2(CC1)CC(N1CCOCC1)c1cc(C)ccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is JPOWHTNZLKKGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2.C2HF3O2/c1-3-20(24)23-8-6-21(7-9-23)15-19(22-10-12-25-13-11-22)17-14-16(2)4-5-18(17)21;3-2(4,5)1(6)7/h4-5,14,19H,3,6-13,15H2,1-2H3;(H,6,7).
What are the key properties of 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid?
1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 456.51 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).