1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride

C26H31ClN2O4 — CID 67357685

IUPAC1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride
SMILESCC(C)N1CCC(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)CC1.Cl
InChIInChI=1S/C26H30N2O4.ClH/c1-17(2)27-9-7-18(8-10-27)15-28-21-6-4-3-5-19(21)26(25(28)29)16-32-22-14-24-23(13-20(22)26)30-11-12-31-24;/h3-6,13-14,17-18H,7-12,15-16H2,1-2H3;1H
InChIKeyXTOPFJHHFRCITI-UHFFFAOYSA-N
MW471.00 g/mol
LogP4.03
Rot. Bonds3

About 1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride

1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride (PubChem CID 67357685) has the molecular formula C26H31ClN2O4 and a molecular weight of 471.00 g/mol. Its IUPAC name is 1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride.

Molecular Properties

Compound Name1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride
PubChem CID67357685
Molecular FormulaC26H31ClN2O4
Molecular Weight471.00 g/mol
Exact Mass470.20
IUPAC Name1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride
SMILESCC(C)N1CCC(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)CC1.Cl
InChIInChI=1S/C26H30N2O4.ClH/c1-17(2)27-9-7-18(8-10-27)15-28-21-6-4-3-5-19(21)26(25(28)29)16-32-22-14-24-23(13-20(22)26)30-11-12-31-24;/h3-6,13-14,17-18H,7-12,15-16H2,1-2H3;1H
InChIKeyXTOPFJHHFRCITI-UHFFFAOYSA-N
XLogP4.03
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride?
The IUPAC name of 1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride (CID 67357685) is 1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride.
What is the SMILES notation for 1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride?
The canonical SMILES for 1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride is CC(C)N1CCC(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)CC1.Cl.
What is the InChIKey of 1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride?
The InChIKey is XTOPFJHHFRCITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4.ClH/c1-17(2)27-9-7-18(8-10-27)15-28-21-6-4-3-5-19(21)26(25(28)29)16-32-22-14-24-23(13-20(22)26)30-11-12-31-24;/h3-6,13-14,17-18H,7-12,15-16H2,1-2H3;1H.
What are the key properties of 1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride?
1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride has a molecular weight of 471.00 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride is sourced from PubChem (CID 67357685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).