7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine

C22H22F3N3O3 — CID 67387713

IUPAC7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
SMILESCOc1cc(F)c2c(c1)C1(COCC(N)=N1)c1cc(N3CCC(F)(F)CC3)ccc1O2
InChIInChI=1S/C22H22F3N3O3/c1-29-14-9-16-20(17(23)10-14)31-18-3-2-13(28-6-4-21(24,25)5-7-28)8-15(18)22(16)12-30-11-19(26)27-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,26,27)
InChIKeyODZJVILLVOQVBX-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.81
Rot. Bonds2

About 7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine

7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine (PubChem CID 67387713) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is 7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine.

Molecular Properties

Compound Name7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
PubChem CID67387713
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC Name7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
SMILESCOc1cc(F)c2c(c1)C1(COCC(N)=N1)c1cc(N3CCC(F)(F)CC3)ccc1O2
InChIInChI=1S/C22H22F3N3O3/c1-29-14-9-16-20(17(23)10-14)31-18-3-2-13(28-6-4-21(24,25)5-7-28)8-15(18)22(16)12-30-11-19(26)27-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,26,27)
InChIKeyODZJVILLVOQVBX-UHFFFAOYSA-N
XLogP3.81
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-7'-bromo-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine;(5S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
CID 162041932
5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
CID 67437659
5-amino-5'-fluoro-7'-(2-fluoro-4-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
CID 67438769
5-amino-4'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
CID 67440122
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
4-(4,4-difluoropiperidin-1-yl)-2-methoxyaniline
CID 57416121
(6S)-7'-bromo-4'-fluoro-2'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,9'-xanthene]-2-amine
CID 89461803
(5R)-2'-bromo-7'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine;(5R)-2'-bromo-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one;2'-bromo-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 158855477
(4S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-morpholin-4-ylspiro[5,6-dihydro-1,3-oxazine-4,9'-xanthene]-2-amine
CID 58465957
N-[(4S)-2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl]-5-methoxypyrazine-2-carboxamide
CID 71542790
3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67438609
(4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466230

Frequently Asked Questions

What is the IUPAC name of 7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine?
The IUPAC name of 7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine (CID 67387713) is 7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine.
What is the SMILES notation for 7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine?
The canonical SMILES for 7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine is COc1cc(F)c2c(c1)C1(COCC(N)=N1)c1cc(N3CCC(F)(F)CC3)ccc1O2.
What is the InChIKey of 7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine?
The InChIKey is ODZJVILLVOQVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-29-14-9-16-20(17(23)10-14)31-18-3-2-13(28-6-4-21(24,25)5-7-28)8-15(18)22(16)12-30-11-19(26)27-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,26,27).
What are the key properties of 7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine?
7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine has a molecular weight of 433.43 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine is sourced from PubChem (CID 67387713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).