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

C20H29F3N4O6 — CID 155835463

IUPACN,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)C(=O)C1Cn2ccnc2C2(CCN(C(=O)COC)CC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N4O4.C2HF3O2/c1-4-20(5-2)16(24)14-12-22-11-8-19-17(22)18(26-14)6-9-21(10-7-18)15(23)13-25-3;3-2(4,5)1(6)7/h8,11,14H,4-7,9-10,12-13H2,1-3H3;(H,6,7)
InChIKeyBINXQJRQNMMCKN-UHFFFAOYSA-N
MW478.47 g/mol
LogP1.25
Rot. Bonds5

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

N,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155835463) has the molecular formula C20H29F3N4O6 and a molecular weight of 478.47 g/mol. Its IUPAC name is N,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155835463
Molecular FormulaC20H29F3N4O6
Molecular Weight478.47 g/mol
Exact Mass478.20
IUPAC NameN,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)C(=O)C1Cn2ccnc2C2(CCN(C(=O)COC)CC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N4O4.C2HF3O2/c1-4-20(5-2)16(24)14-12-22-11-8-19-17(22)18(26-14)6-9-21(10-7-18)15(23)13-25-3;3-2(4,5)1(6)7/h8,11,14H,4-7,9-10,12-13H2,1-3H3;(H,6,7)
InChIKeyBINXQJRQNMMCKN-UHFFFAOYSA-N
XLogP1.25
TPSA114.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1'-(2-fluoroethyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118739812
1-N'-cyclopentyl-6-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 118740816
1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 118744704
1'-(3-Methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118744711
1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 118744714
1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 118743969
1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid
CID 118744703
1'-(3-Methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 118744710
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
(4aR,7aR)-4-(cyclopentylmethyl)-6-[(1-methylimidazol-2-yl)methyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one;2,2,2-trifluoroacetic acid
CID 127022784
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-ethoxyethanone;2,2,2-trifluoroacetic acid
CID 127023810
4,4,4-Trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 55845240

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (CID 155835463) is N,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is CCN(CC)C(=O)C1Cn2ccnc2C2(CCN(C(=O)COC)CC2)O1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BINXQJRQNMMCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4.C2HF3O2/c1-4-20(5-2)16(24)14-12-22-11-8-19-17(22)18(26-14)6-9-21(10-7-18)15(23)13-25-3;3-2(4,5)1(6)7/h8,11,14H,4-7,9-10,12-13H2,1-3H3;(H,6,7).
What are the key properties of N,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
N,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 478.47 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1'-(2-methoxyacetyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155835463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).