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

C22H31F3N2O4 — CID 155856916

IUPACN-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CC1)CC(NC(=O)C(C)C)c1ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H30N2O2.C2HF3O2/c1-15(2)19(23)21-18-14-20(17-7-5-4-6-16(17)18)8-10-22(11-9-20)12-13-24-3;3-2(4,5)1(6)7/h4-7,15,18H,8-14H2,1-3H3,(H,21,23);(H,6,7)
InChIKeyMMSHNVPEVRIRSN-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.52
Rot. Bonds5

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

N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 155856916) has the molecular formula C22H31F3N2O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID155856916
Molecular FormulaC22H31F3N2O4
Molecular Weight444.49 g/mol
Exact Mass444.22
IUPAC NameN-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CC1)CC(NC(=O)C(C)C)c1ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H30N2O2.C2HF3O2/c1-15(2)19(23)21-18-14-20(17-7-5-4-6-16(17)18)8-10-22(11-9-20)12-13-24-3;3-2(4,5)1(6)7/h4-7,15,18H,8-14H2,1-3H3,(H,21,23);(H,6,7)
InChIKeyMMSHNVPEVRIRSN-UHFFFAOYSA-N
XLogP3.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Indanamine, N-(2-morpholinopropionyl)-
CID 110879
N-(2,3-Dihydro-1H-inden-1-yl)-4-(morpholin-4-yl)butanimidic acid
CID 110883
4-(Morpholin-4-yl)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)butanimidic acid
CID 115639
3-(Morpholin-4-yl)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)propanimidic acid
CID 115640
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
N-[1'-[4-(dimethylamino)butanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 134789144
N-[3-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-oxopropyl]acetamide
CID 134789597
N-[4-(1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-oxobutyl]acetamide
CID 134791452
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

Frequently Asked Questions

What is the IUPAC name of N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid (CID 155856916) is N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid is COCCN1CCC2(CC1)CC(NC(=O)C(C)C)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]-2-methylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is MMSHNVPEVRIRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.C2HF3O2/c1-15(2)19(23)21-18-14-20(17-7-5-4-6-16(17)18)8-10-22(11-9-20)12-13-24-3;3-2(4,5)1(6)7/h4-7,15,18H,8-14H2,1-3H3,(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]-2-methylpropanamide;2,2,2-trifluoroacetic acid?
N-[1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 444.49 g/mol, XLogP of 3.52, 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]-2-methylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155856916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).