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

C19H26F3N5O5 — CID 118744703

IUPAC1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N5O3.C2HF3O2/c18-14(23)13-11-22-10-7-19-15(22)17(25-13)5-8-21(9-6-17)16(24)20-12-3-1-2-4-12;3-2(4,5)1(6)7/h7,10,12-13H,1-6,8-9,11H2,(H2,18,23)(H,20,24);(H,6,7)
InChIKeyDFSASSBUTKVURF-UHFFFAOYSA-N
MW461.44 g/mol
LogP1.34
Rot. Bonds2

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

1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118744703) has the molecular formula C19H26F3N5O5 and a molecular weight of 461.44 g/mol. Its IUPAC name is 1-N'-cyclopentylspiro[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'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid
PubChem CID118744703
Molecular FormulaC19H26F3N5O5
Molecular Weight461.44 g/mol
Exact Mass461.19
IUPAC Name1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N5O3.C2HF3O2/c18-14(23)13-11-22-10-7-19-15(22)17(25-13)5-8-21(9-6-17)16(24)20-12-3-1-2-4-12;3-2(4,5)1(6)7/h7,10,12-13H,1-6,8-9,11H2,(H2,18,23)(H,20,24);(H,6,7)
InChIKeyDFSASSBUTKVURF-UHFFFAOYSA-N
XLogP1.34
TPSA139.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclopentylspiro[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'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid (CID 118744703) is 1-N'-cyclopentylspiro[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'-cyclopentylspiro[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'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid is NC(=O)C1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DFSASSBUTKVURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3.C2HF3O2/c18-14(23)13-11-22-10-7-19-15(22)17(25-13)5-8-21(9-6-17)16(24)20-12-3-1-2-4-12;3-2(4,5)1(6)7/h7,10,12-13H,1-6,8-9,11H2,(H2,18,23)(H,20,24);(H,6,7).
What are the key properties of 1-N'-cyclopentylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide;2,2,2-trifluoroacetic acid?
1-N'-cyclopentylspiro[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 461.44 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclopentylspiro[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 118744703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).