N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid

C24H26F3N3O5 — CID 155847775

About N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid

N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155847775) has the molecular formula C24H26F3N3O5 and a molecular weight of 493.48 g/mol. Its IUPAC name is N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155847775
• Molecular Formula: C24H26F3N3O5
• Molecular Weight: 493.48 g/mol
• Exact Mass: 493.18
• IUPAC Name: N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
• SMILES: CNC(=O)CC1CC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H25N3O3.C2HF3O2/c1-23-20(26)13-17-14-22(28-19-7-3-2-6-18(17)19)8-11-25(12-9-22)21(27)16-5-4-10-24-15-16;3-2(4,5)1(6)7/h2-7,10,15,17H,8-9,11-14H2,1H3,(H,23,26);(H,6,7)
• InChIKey: KOMRXBBTSOXMLE-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 108.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.48
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid (CID 155847775) is N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid is CNC(=O)CC1CC2(CCN(C(=O)c3cccnc3)CC2)Oc2ccccc21.O=C(O)C(F)(F)F.

What is the InChIKey of N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is KOMRXBBTSOXMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.C2HF3O2/c1-23-20(26)13-17-14-22(28-19-7-3-2-6-18(17)19)8-11-25(12-9-22)21(27)16-5-4-10-24-15-16;3-2(4,5)1(6)7/h2-7,10,15,17H,8-9,11-14H2,1H3,(H,23,26);(H,6,7).

What are the key properties of N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid?

N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 493.48 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155847775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).