N,N-diethyl-1'-(furan-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)

C24H30F6N4O7 — CID 155865459

About N,N-diethyl-1'-(furan-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)

N,N-diethyl-1'-(furan-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155865459) has the molecular formula C24H30F6N4O7 and a molecular weight of 600.51 g/mol. Its IUPAC name is N,N-diethyl-1'-(furan-2-ylmethyl)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,N-diethyl-1'-(furan-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155865459
• Molecular Formula: C24H30F6N4O7
• Molecular Weight: 600.51 g/mol
• Exact Mass: 600.20
• IUPAC Name: N,N-diethyl-1'-(furan-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CCN(CC)C(=O)C1Cn2ccnc2C2(CCN(Cc3ccco3)CC2)O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H28N4O3.2C2HF3O2/c1-3-23(4-2)18(25)17-15-24-12-9-21-19(24)20(27-17)7-10-22(11-8-20)14-16-6-5-13-26-16;2*3-2(4,5)1(6)7/h5-6,9,12-13,17H,3-4,7-8,10-11,14-15H2,1-2H3;2*(H,6,7)
• InChIKey: RNLVVYNQCXAADR-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 138.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.51
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1'-(furan-2-ylmethyl)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,N-diethyl-1'-(furan-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155865459) is N,N-diethyl-1'-(furan-2-ylmethyl)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,N-diethyl-1'-(furan-2-ylmethyl)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,N-diethyl-1'-(furan-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid) is CCN(CC)C(=O)C1Cn2ccnc2C2(CCN(Cc3ccco3)CC2)O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is RNLVVYNQCXAADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3.2C2HF3O2/c1-3-23(4-2)18(25)17-15-24-12-9-21-19(24)20(27-17)7-10-22(11-8-20)14-16-6-5-13-26-16;2*3-2(4,5)1(6)7/h5-6,9,12-13,17H,3-4,7-8,10-11,14-15H2,1-2H3;2*(H,6,7).

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

N,N-diethyl-1'-(furan-2-ylmethyl)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 600.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-1'-(furan-2-ylmethyl)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 155865459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).