2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone

C24H28N2O4 — CID 131660230

IUPAC2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)N1CCOCC1
InChIInChI=1S/C24H28N2O4/c27-22(25-10-13-29-14-11-25)15-19-16-24(21-4-2-1-3-20(19)21)6-8-26(9-7-24)23(28)18-5-12-30-17-18/h1-5,12,17,19H,6-11,13-16H2
InChIKeySGNBUMKUZVFRND-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.19
Rot. Bonds3

About 2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone

2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone (PubChem CID 131660230) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
PubChem CID131660230
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)N1CCOCC1
InChIInChI=1S/C24H28N2O4/c27-22(25-10-13-29-14-11-25)15-19-16-24(21-4-2-1-3-20(19)21)6-8-26(9-7-24)23(28)18-5-12-30-17-18/h1-5,12,17,19H,6-11,13-16H2
InChIKeySGNBUMKUZVFRND-UHFFFAOYSA-N
XLogP3.19
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131642800
2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
CID 131652878
1-morpholin-4-yl-2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661049
2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone
CID 131647920
1-morpholin-4-yl-2-[(1S)-1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97375942
2-[(1R)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376049
N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97400683
1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone
CID 121229522
1-(4-methylpiperazin-1-yl)-2-[1'-(pyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131655232
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131649138
3,3-dimethyl-1-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one
CID 131657875
2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
CID 131656932

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone (CID 131660230) is 2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone is O=C(CC1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)N1CCOCC1.
What is the InChIKey of 2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is SGNBUMKUZVFRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-22(25-10-13-29-14-11-25)15-19-16-24(21-4-2-1-3-20(19)21)6-8-26(9-7-24)23(28)18-5-12-30-17-18/h1-5,12,17,19H,6-11,13-16H2.
What are the key properties of 2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone?
2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 408.50 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 131660230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).