3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide

C27H31N3O5 — CID 59352646

IUPAC3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(CCN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)C1
InChIInChI=1S/C27H31N3O5/c1-17(2)28-26(32)29-10-5-6-18(14-29)9-11-30-21-8-4-3-7-19(21)27(25(30)31)15-33-22-13-24-23(12-20(22)27)34-16-35-24/h3-4,7-8,12-13,17-18H,5-6,9-11,14-16H2,1-2H3,(H,28,32)
InChIKeyFHCHLTDLGKUIGL-UHFFFAOYSA-N
MW477.56 g/mol
LogP3.66
Rot. Bonds4

About 3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide

3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 59352646) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is 3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID59352646
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(CCN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)C1
InChIInChI=1S/C27H31N3O5/c1-17(2)28-26(32)29-10-5-6-18(14-29)9-11-30-21-8-4-3-7-19(21)27(25(30)31)15-33-22-13-24-23(12-20(22)27)34-16-35-24/h3-4,7-8,12-13,17-18H,5-6,9-11,14-16H2,1-2H3,(H,28,32)
InChIKeyFHCHLTDLGKUIGL-UHFFFAOYSA-N
XLogP3.66
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2'-oxospiro[4H-furo[2,3-g][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 68599025
N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide
CID 66642533
1'-[3-[[(1S)-1-cyclohexylethyl]amino]propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642082
4-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)butanenitrile
CID 66642446
3-[2-(2'-oxospiro[4,8-dihydro-3aH-furo[2,3-g][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 68599026
1-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 66642487
1'-[3-(2-pyrrolidin-1-ylethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642252
1-(4-tert-butylphenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea
CID 66642360
N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]heptanamide
CID 66642249
1'-[(1-cyclopentylpiperidin-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642390
N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide
CID 66642704
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642705

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 59352646) is 3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(CCN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)C1.
What is the InChIKey of 3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is FHCHLTDLGKUIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5/c1-17(2)28-26(32)29-10-5-6-18(14-29)9-11-30-21-8-4-3-7-19(21)27(25(30)31)15-33-22-13-24-23(12-20(22)27)34-16-35-24/h3-4,7-8,12-13,17-18H,5-6,9-11,14-16H2,1-2H3,(H,28,32).
What are the key properties of 3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide?
3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 59352646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).