1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)

C23H25F7N4O6 — CID 155838211

About 1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)

1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155838211) has the molecular formula C23H25F7N4O6 and a molecular weight of 586.46 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155838211
• Molecular Formula: C23H25F7N4O6
• Molecular Weight: 586.46 g/mol
• Exact Mass: 586.17
• IUPAC Name: 1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CNC(=O)C1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H23FN4O2.2C2HF3O2/c1-21-17(25)16-13-24-11-8-22-18(24)19(26-16)6-9-23(10-7-19)12-14-2-4-15(20)5-3-14;2*3-2(4,5)1(6)7/h2-5,8,11,16H,6-7,9-10,12-13H2,1H3,(H,21,25);2*(H,6,7)
• InChIKey: RIXQLIJXODMISD-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 133.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.46
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155838211) is 1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid) is CNC(=O)C1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is RIXQLIJXODMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2.2C2HF3O2/c1-21-17(25)16-13-24-11-8-22-18(24)19(26-16)6-9-23(10-7-19)12-14-2-4-15(20)5-3-14;2*3-2(4,5)1(6)7/h2-5,8,11,16H,6-7,9-10,12-13H2,1H3,(H,21,25);2*(H,6,7).

What are the key properties of 1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?

1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 586.46 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155838211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).