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

C21H29F3N4O5 — CID 118743969

IUPAC1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)CC3CCCC3)CC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N4O3.C2HF3O2/c1-20-17(25)15-13-23-11-8-21-18(23)19(26-15)6-9-22(10-7-19)16(24)12-14-4-2-3-5-14;3-2(4,5)1(6)7/h8,11,14-15H,2-7,9-10,12-13H2,1H3,(H,20,25);(H,6,7)
InChIKeyFUZNHKGGKFOCFI-UHFFFAOYSA-N
MW474.48 g/mol
LogP2.06
Rot. Bonds3

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

1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743969) has the molecular formula C21H29F3N4O5 and a molecular weight of 474.48 g/mol. Its IUPAC name is 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743969
Molecular FormulaC21H29F3N4O5
Molecular Weight474.48 g/mol
Exact Mass474.21
IUPAC Name1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)CC3CCCC3)CC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N4O3.C2HF3O2/c1-20-17(25)15-13-23-11-8-21-18(23)19(26-15)6-9-22(10-7-19)16(24)12-14-4-2-3-5-14;3-2(4,5)1(6)7/h8,11,14-15H,2-7,9-10,12-13H2,1H3,(H,20,25);(H,6,7)
InChIKeyFUZNHKGGKFOCFI-UHFFFAOYSA-N
XLogP2.06
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1'-(2-cyclopentylacetyl)-N-methylspiro[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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Frequently Asked Questions

What is the IUPAC name of 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 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) is 1'-(2-cyclopentylacetyl)-N-methylspiro[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 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)C1Cn2ccnc2C2(CCN(C(=O)CC3CCCC3)CC2)O1.O=C(O)C(F)(F)F.
What is the InChIKey of 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FUZNHKGGKFOCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.C2HF3O2/c1-20-17(25)15-13-23-11-8-21-18(23)19(26-15)6-9-22(10-7-19)16(24)12-14-4-2-3-5-14;3-2(4,5)1(6)7/h8,11,14-15H,2-7,9-10,12-13H2,1H3,(H,20,25);(H,6,7).
What are the key properties of 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 474.48 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-cyclopentylacetyl)-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).