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

C25H32F6N4O6S — CID 155853930

About N-(2-methylpropyl)-1'-[(5-methylthiophen-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-(2-methylpropyl)-1'-[(5-methylthiophen-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 155853930) has the molecular formula C25H32F6N4O6S and a molecular weight of 630.61 g/mol. Its IUPAC name is N-(2-methylpropyl)-1'-[(5-methylthiophen-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-(2-methylpropyl)-1'-[(5-methylthiophen-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: 155853930
• Molecular Formula: C25H32F6N4O6S
• Molecular Weight: 630.61 g/mol
• Exact Mass: 630.19
• IUPAC Name: N-(2-methylpropyl)-1'-[(5-methylthiophen-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: Cc1ccc(CN2CCC3(CC2)OC(C(=O)NCC(C)C)Cn2ccnc23)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H30N4O2S.2C2HF3O2/c1-15(2)12-23-19(26)18-14-25-11-8-22-20(25)21(27-18)6-9-24(10-7-21)13-17-5-4-16(3)28-17;2*3-2(4,5)1(6)7/h4-5,8,11,15,18H,6-7,9-10,12-14H2,1-3H3,(H,23,26);2*(H,6,7)
• InChIKey: QTSVAUDQOLTMQH-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 133.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.61
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1'-[(5-methylthiophen-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-(2-methylpropyl)-1'-[(5-methylthiophen-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 155853930) is N-(2-methylpropyl)-1'-[(5-methylthiophen-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-(2-methylpropyl)-1'-[(5-methylthiophen-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-(2-methylpropyl)-1'-[(5-methylthiophen-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 Cc1ccc(CN2CCC3(CC2)OC(C(=O)NCC(C)C)Cn2ccnc23)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-(2-methylpropyl)-1'-[(5-methylthiophen-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 QTSVAUDQOLTMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S.2C2HF3O2/c1-15(2)12-23-19(26)18-14-25-11-8-22-20(25)21(27-18)6-9-24(10-7-21)13-17-5-4-16(3)28-17;2*3-2(4,5)1(6)7/h4-5,8,11,15,18H,6-7,9-10,12-14H2,1-3H3,(H,23,26);2*(H,6,7).

What are the key properties of N-(2-methylpropyl)-1'-[(5-methylthiophen-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-(2-methylpropyl)-1'-[(5-methylthiophen-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 630.61 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylpropyl)-1'-[(5-methylthiophen-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 155853930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).