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

C27H33N3O5 — CID 68599026

IUPAC3-[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
SMILESCC(C)NC(=O)N1CCCC(CCN2C(=O)C3(CC4=C5OCOC5CC=C4O3)c3ccccc32)C1
InChIInChI=1S/C27H33N3O5/c1-17(2)28-26(32)29-12-5-6-18(15-29)11-13-30-21-8-4-3-7-20(21)27(25(30)31)14-19-22(35-27)9-10-23-24(19)34-16-33-23/h3-4,7-9,17-18,23H,5-6,10-16H2,1-2H3,(H,28,32)
InChIKeyJOYWRHWWXCTRNT-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.78
Rot. Bonds4

About 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

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 (PubChem CID 68599026) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID68599026
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC Name3-[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
SMILESCC(C)NC(=O)N1CCCC(CCN2C(=O)C3(CC4=C5OCOC5CC=C4O3)c3ccccc32)C1
InChIInChI=1S/C27H33N3O5/c1-17(2)28-26(32)29-12-5-6-18(15-29)11-13-30-21-8-4-3-7-20(21)27(25(30)31)14-19-22(35-27)9-10-23-24(19)34-16-33-23/h3-4,7-9,17-18,23H,5-6,10-16H2,1-2H3,(H,28,32)
InChIKeyJOYWRHWWXCTRNT-UHFFFAOYSA-N
XLogP3.78
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 26323757
3-N-[(2-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42959130
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 90642052
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
(3R)-N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95597531
3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 111439039
4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide
CID 91938678
(3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094139
(3S)-3-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094105

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC(=O)N1CCCC(CCN2C(=O)C3(CC4=C5OCOC5CC=C4O3)c3ccccc32)C1.
What is the InChIKey of 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?
The InChIKey is JOYWRHWWXCTRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-17(2)28-26(32)29-12-5-6-18(15-29)11-13-30-21-8-4-3-7-20(21)27(25(30)31)14-19-22(35-27)9-10-23-24(19)34-16-33-23/h3-4,7-9,17-18,23H,5-6,10-16H2,1-2H3,(H,28,32).
What are the key properties of 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?
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 has a molecular weight of 479.58 g/mol, XLogP of 3.78, 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[4,8-dihydro-3aH-furo[2,3-g][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 68599026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).