1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]

C27H32N2O4 — CID 150217407

IUPAC1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESc1ccc2c(c1)N(CC1CCN(C3CCOCC3)CC1)CC21COc2cc3c(cc21)OCO3
InChIInChI=1S/C27H32N2O4/c1-2-4-23-21(3-1)27(17-31-24-14-26-25(13-22(24)27)32-18-33-26)16-29(23)15-19-5-9-28(10-6-19)20-7-11-30-12-8-20/h1-4,13-14,19-20H,5-12,15-18H2
InChIKeyFSTNNJMEBNCEQI-UHFFFAOYSA-N
MW448.56 g/mol
LogP3.80
Rot. Bonds3

About 1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]

1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] (PubChem CID 150217407) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole].

Molecular Properties

Compound Name1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
PubChem CID150217407
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
SMILESc1ccc2c(c1)N(CC1CCN(C3CCOCC3)CC1)CC21COc2cc3c(cc21)OCO3
InChIInChI=1S/C27H32N2O4/c1-2-4-23-21(3-1)27(17-31-24-14-26-25(13-22(24)27)32-18-33-26)16-29(23)15-19-5-9-28(10-6-19)20-7-11-30-12-8-20/h1-4,13-14,19-20H,5-12,15-18H2
InChIKeyFSTNNJMEBNCEQI-UHFFFAOYSA-N
XLogP3.80
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]spiro[2H-indole-3,6'-4,7-dihydrofuro[3,2-g][1,3]benzodioxine]
CID 150951159
1'-[(1-cyclopentylpiperidin-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642390
1-cyclopropylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 91416856
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]
CID 86609007
(3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 90802978
(3S)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 90710525
1-[[2-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 67357105
1-[[3-(trifluoromethyl)phenyl]methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 67357144
1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-amine
CID 141266678
1-[(5-chloro-1-methylimidazol-2-yl)methyl]spiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 152642855
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 91812988
1'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642174

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The IUPAC name of 1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] (CID 150217407) is 1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole].
What is the SMILES notation for 1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The canonical SMILES for 1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] is c1ccc2c(c1)N(CC1CCN(C3CCOCC3)CC1)CC21COc2cc3c(cc21)OCO3.
What is the InChIKey of 1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
The InChIKey is FSTNNJMEBNCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-2-4-23-21(3-1)27(17-31-24-14-26-25(13-22(24)27)32-18-33-26)16-29(23)15-19-5-9-28(10-6-19)20-7-11-30-12-8-20/h1-4,13-14,19-20H,5-12,15-18H2.
What are the key properties of 1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole]?
1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] has a molecular weight of 448.56 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(oxan-4-yl)piperidin-4-yl]methyl]spiro[2H-indole-3,7'-6H-furo[2,3-f][1,3]benzodioxole] is sourced from PubChem (CID 150217407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).