tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate

C28H32N2O6 — CID 59352597

IUPACtert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)CC1
InChIInChI=1S/C28H32N2O6/c1-27(2,3)36-26(32)29-10-8-18(9-11-29)16-30-21-7-5-4-6-19(21)28(25(30)31)17-35-22-15-24-23(14-20(22)28)33-12-13-34-24/h4-7,14-15,18H,8-13,16-17H2,1-3H3
InChIKeyNVXPQCBJODLSPW-UHFFFAOYSA-N
MW492.57 g/mol
LogP4.13
Rot. Bonds2

About tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate

tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate (PubChem CID 59352597) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate
PubChem CID59352597
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC Nametert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)CC1
InChIInChI=1S/C28H32N2O6/c1-27(2,3)36-26(32)29-10-8-18(9-11-29)16-30-21-7-5-4-6-19(21)28(25(30)31)17-35-22-15-24-23(14-20(22)28)33-12-13-34-24/h4-7,14-15,18H,8-13,16-17H2,1-3H3
InChIKeyNVXPQCBJODLSPW-UHFFFAOYSA-N
XLogP4.13
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263383
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
tert-butyl 4-(phenothiazin-10-ylmethyl)piperidine-1-carboxylate
CID 70077895
1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352709
4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one
CID 59352543
1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 71036140
1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352440
4-tert-butyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]benzamide
CID 11999892
1'-(4,4,4-trifluorobutyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641983
1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352101
N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
CID 66641868
tert-butyl 3-[[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647743

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate (CID 59352597) is tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)CC1.
What is the InChIKey of tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate?
The InChIKey is NVXPQCBJODLSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-27(2,3)36-26(32)29-10-8-18(9-11-29)16-30-21-7-5-4-6-19(21)28(25(30)31)17-35-22-15-24-23(14-20(22)28)33-12-13-34-24/h4-7,14-15,18H,8-13,16-17H2,1-3H3.
What are the key properties of tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate has a molecular weight of 492.57 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 59352597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).