2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one

C30H30N2O3 — CID 15918903

IUPAC2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESO=C1OC2(c3ccc(N4CCCCC4)cc3Oc3ccc(N4CCCCC4)cc32)c2ccccc21
InChIInChI=1S/C30H30N2O3/c33-29-23-9-3-4-10-24(23)30(35-29)25-13-11-22(32-17-7-2-8-18-32)20-28(25)34-27-14-12-21(19-26(27)30)31-15-5-1-6-16-31/h3-4,9-14,19-20H,1-2,5-8,15-18H2
InChIKeyWGIKOUOZVLWPDJ-UHFFFAOYSA-N
MW466.58 g/mol
LogP6.24
Rot. Bonds2

About 2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one

2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 15918903) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID15918903
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESO=C1OC2(c3ccc(N4CCCCC4)cc3Oc3ccc(N4CCCCC4)cc32)c2ccccc21
InChIInChI=1S/C30H30N2O3/c33-29-23-9-3-4-10-24(23)30(35-29)25-13-11-22(32-17-7-2-8-18-32)20-28(25)34-27-14-12-21(19-26(27)30)31-15-5-1-6-16-31/h3-4,9-14,19-20H,1-2,5-8,15-18H2
InChIKeyWGIKOUOZVLWPDJ-UHFFFAOYSA-N
XLogP6.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3',6'-bis(triazirin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2840289
3'-methyl-2'-[4-[2-[4-[(3'-methyl-3-oxo-6'-pyrrolidin-1-ylspiro[2-benzofuran-1,9'-xanthene]-2'-yl)amino]phenyl]propan-2-yl]anilino]-6'-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139807029
methyl 1-[6'-(3-methoxycarbonylazetidin-1-yl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]azetidine-3-carboxylate
CID 126598700
3'-(3-fluoroazetidin-1-yl)-6'-(3-methylazetidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 135207761
4-[bis(4-chlorophenyl)methylamino]-3'-pyrrolidin-1-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 90390011
10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 169207723
potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide
CID 20775252
cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463
3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 19829084
6'-[butan-2-yl(ethyl)amino]-2'-(3,4-dihydro-2H-quinolin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139704941
9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
CID 169207762
trisodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydride
CID 173284967

Frequently Asked Questions

What is the IUPAC name of 2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 15918903) is 2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one is O=C1OC2(c3ccc(N4CCCCC4)cc3Oc3ccc(N4CCCCC4)cc32)c2ccccc21.
What is the InChIKey of 2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is WGIKOUOZVLWPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c33-29-23-9-3-4-10-24(23)30(35-29)25-13-11-22(32-17-7-2-8-18-32)20-28(25)34-27-14-12-21(19-26(27)30)31-15-5-1-6-16-31/h3-4,9-14,19-20H,1-2,5-8,15-18H2.
What are the key properties of 2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one?
2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 466.58 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 15918903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).