6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid

C20H30F3N5O5 — CID 155829528

IUPAC6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)C(=O)C1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H29N5O3.C2HF3O2/c1-5-21(6-2)15(24)14-13-23-12-9-19-16(23)18(26-14)7-10-22(11-8-18)17(25)20(3)4;3-2(4,5)1(6)7/h9,12,14H,5-8,10-11,13H2,1-4H3;(H,6,7)
InChIKeyGWHHYEBWUVLNPI-UHFFFAOYSA-N
MW477.48 g/mol
LogP1.76
Rot. Bonds3

About 6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid

6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155829528) has the molecular formula C20H30F3N5O5 and a molecular weight of 477.48 g/mol. Its IUPAC name is 6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid
PubChem CID155829528
Molecular FormulaC20H30F3N5O5
Molecular Weight477.48 g/mol
Exact Mass477.22
IUPAC Name6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)C(=O)C1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H29N5O3.C2HF3O2/c1-5-21(6-2)15(24)14-13-23-12-9-19-16(23)18(26-14)7-10-22(11-8-18)17(25)20(3)4;3-2(4,5)1(6)7/h9,12,14H,5-8,10-11,13H2,1-4H3;(H,6,7)
InChIKeyGWHHYEBWUVLNPI-UHFFFAOYSA-N
XLogP1.76
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[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 6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid (CID 155829528) is 6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[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 6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid is CCN(CC)C(=O)C1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GWHHYEBWUVLNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3.C2HF3O2/c1-5-21(6-2)15(24)14-13-23-12-9-19-16(23)18(26-14)7-10-22(11-8-18)17(25)20(3)4;3-2(4,5)1(6)7/h9,12,14H,5-8,10-11,13H2,1-4H3;(H,6,7).
What are the key properties of 6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid?
6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[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 477.48 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-diethyl-1-N',1-N'-dimethylspiro[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 155829528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).