N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)

C29H32F6N4O8 — CID 155829424

About N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155829424) has the molecular formula C29H32F6N4O8 and a molecular weight of 678.58 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155829424
• Molecular Formula: C29H32F6N4O8
• Molecular Weight: 678.58 g/mol
• Exact Mass: 678.21
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: COc1cccc(CNC(=O)C2Cn3ccnc3C3(CCN(Cc4ccc(C)o4)CC3)O2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H30N4O4.2C2HF3O2/c1-18-6-7-21(32-18)16-28-11-8-25(9-12-28)24-26-10-13-29(24)17-22(33-25)23(30)27-15-19-4-3-5-20(14-19)31-2;2*3-2(4,5)1(6)7/h3-7,10,13-14,22H,8-9,11-12,15-17H2,1-2H3,(H,27,30);2*(H,6,7)
• InChIKey: DMNPEBUSAVGGAJ-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 156.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	678.58
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155829424) is N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[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 N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid) is COc1cccc(CNC(=O)C2Cn3ccnc3C3(CCN(Cc4ccc(C)o4)CC3)O2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is DMNPEBUSAVGGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4.2C2HF3O2/c1-18-6-7-21(32-18)16-28-11-8-25(9-12-28)24-26-10-13-29(24)17-22(33-25)23(30)27-15-19-4-3-5-20(14-19)31-2;2*3-2(4,5)1(6)7/h3-7,10,13-14,22H,8-9,11-12,15-17H2,1-2H3,(H,27,30);2*(H,6,7).

What are the key properties of N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)?

N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[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 678.58 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-1'-[(5-methylfuran-2-yl)methyl]spiro[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 155829424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).