1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid

C18H26F3N5O5 — CID 118744713

IUPAC1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)CNC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N5O3.C2HF3O2/c1-11(2)9-19-15(23)20-6-3-16(4-7-20)14-18-5-8-21(14)10-12(24-16)13(17)22;3-2(4,5)1(6)7/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,17,22)(H,19,23);(H,6,7)
InChIKeyAZDFTFOBJVOPEH-UHFFFAOYSA-N
MW449.43 g/mol
LogP1.06
Rot. Bonds3

About 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid

1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118744713) has the molecular formula C18H26F3N5O5 and a molecular weight of 449.43 g/mol. Its IUPAC name is 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid
PubChem CID118744713
Molecular FormulaC18H26F3N5O5
Molecular Weight449.43 g/mol
Exact Mass449.19
IUPAC Name1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)CNC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N5O3.C2HF3O2/c1-11(2)9-19-15(23)20-6-3-16(4-7-20)14-18-5-8-21(14)10-12(24-16)13(17)22;3-2(4,5)1(6)7/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,17,22)(H,19,23);(H,6,7)
InChIKeyAZDFTFOBJVOPEH-UHFFFAOYSA-N
XLogP1.06
TPSA139.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid (CID 118744713) is 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid is CC(C)CNC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is AZDFTFOBJVOPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3.C2HF3O2/c1-11(2)9-19-15(23)20-6-3-16(4-7-20)14-18-5-8-21(14)10-12(24-16)13(17)22;3-2(4,5)1(6)7/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,17,22)(H,19,23);(H,6,7).
What are the key properties of 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid?
1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 449.43 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).