N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid

C26H37F3N4O4 — CID 155843627

About N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid

N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155843627) has the molecular formula C26H37F3N4O4 and a molecular weight of 526.60 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155843627
• Molecular Formula: C26H37F3N4O4
• Molecular Weight: 526.60 g/mol
• Exact Mass: 526.28
• IUPAC Name: N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
• SMILES: CN(C)CCNC(=O)CC1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H36N4O2.C2HF3O2/c1-26(2)16-11-25-22(29)17-19-18-24(21-8-4-3-7-20(19)21)9-14-28(15-10-24)23(30)27-12-5-6-13-27;3-2(4,5)1(6)7/h3-4,7-8,19H,5-6,9-18H2,1-2H3,(H,25,29);(H,6,7)
• InChIKey: XBSQUDOPWVSWEM-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 93.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.60
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid (CID 155843627) is N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid is CN(C)CCNC(=O)CC1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21.O=C(O)C(F)(F)F.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is XBSQUDOPWVSWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2.C2HF3O2/c1-26(2)16-11-25-22(29)17-19-18-24(21-8-4-3-7-20(19)21)9-14-28(15-10-24)23(30)27-12-5-6-13-27;3-2(4,5)1(6)7/h3-4,7-8,19H,5-6,9-18H2,1-2H3,(H,25,29);(H,6,7).

What are the key properties of N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid?

N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 526.60 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155843627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).