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

C17H20F4N2O3 — CID 118744822

IUPAC2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CC1CC2(CCNCC2)c2cc(F)ccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19FN2O.C2HF3O2/c16-11-1-2-12-10(7-14(17)19)9-15(13(12)8-11)3-5-18-6-4-15;3-2(4,5)1(6)7/h1-2,8,10,18H,3-7,9H2,(H2,17,19);(H,6,7)
InChIKeyBZMCUFGSDQEKJZ-UHFFFAOYSA-N
MW376.35 g/mol
LogP2.44
Rot. Bonds2

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

2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118744822) has the molecular formula C17H20F4N2O3 and a molecular weight of 376.35 g/mol. Its IUPAC name is 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID118744822
Molecular FormulaC17H20F4N2O3
Molecular Weight376.35 g/mol
Exact Mass376.14
IUPAC Name2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CC1CC2(CCNCC2)c2cc(F)ccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19FN2O.C2HF3O2/c16-11-1-2-12-10(7-14(17)19)9-15(13(12)8-11)3-5-18-6-4-15;3-2(4,5)1(6)7/h1-2,8,10,18H,3-7,9H2,(H2,17,19);(H,6,7)
InChIKeyBZMCUFGSDQEKJZ-UHFFFAOYSA-N
XLogP2.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid (CID 118744822) is 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid is NC(=O)CC1CC2(CCNCC2)c2cc(F)ccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is BZMCUFGSDQEKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O.C2HF3O2/c16-11-1-2-12-10(7-14(17)19)9-15(13(12)8-11)3-5-18-6-4-15;3-2(4,5)1(6)7/h1-2,8,10,18H,3-7,9H2,(H2,17,19);(H,6,7).
What are the key properties of 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid?
2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 376.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).