2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide

C27H33F2N3O3 — CID 22867278

About 2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide

2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide (PubChem CID 22867278) has the molecular formula C27H33F2N3O3 and a molecular weight of 485.58 g/mol. Its IUPAC name is 2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide
• PubChem CID: 22867278
• Molecular Formula: C27H33F2N3O3
• Molecular Weight: 485.58 g/mol
• Exact Mass: 485.25
• IUPAC Name: 2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide
• SMILES: CC(C)(N)C(=O)N[C@H](COCc1c(F)cccc1F)C(=O)N1CCC2(CCc3ccccc32)CC1
• InChI: InChI=1S/C27H33F2N3O3/c1-26(2,30)25(34)31-23(17-35-16-19-21(28)8-5-9-22(19)29)24(33)32-14-12-27(13-15-32)11-10-18-6-3-4-7-20(18)27/h3-9,23H,10-17,30H2,1-2H3,(H,31,34)/t23-/m1/s1
• InChIKey: YPLSFXZLQWGAFA-HSZRJFAPSA-N
• XLogP: 3.21
• TPSA: 84.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.58
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide?

The IUPAC name of 2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide (CID 22867278) is 2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide.

What is the SMILES notation for 2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide?

The canonical SMILES for 2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](COCc1c(F)cccc1F)C(=O)N1CCC2(CCc3ccccc32)CC1.

What is the InChIKey of 2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide?

The InChIKey is YPLSFXZLQWGAFA-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H33F2N3O3/c1-26(2,30)25(34)31-23(17-35-16-19-21(28)8-5-9-22(19)29)24(33)32-14-12-27(13-15-32)11-10-18-6-3-4-7-20(18)27/h3-9,23H,10-17,30H2,1-2H3,(H,31,34)/t23-/m1/s1.

What are the key properties of 2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide?

2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide has a molecular weight of 485.58 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 22867278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).