2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone

C27H32N2O3 — CID 131656932

IUPAC2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccccc1)N1CCC2(CC1)CC(CC(=O)N1CCCC1)c1ccccc12
InChIInChI=1S/C27H32N2O3/c30-25(28-14-6-7-15-28)18-21-19-27(24-11-5-4-10-23(21)24)12-16-29(17-13-27)26(31)20-32-22-8-2-1-3-9-22/h1-5,8-11,21H,6-7,12-20H2
InChIKeyMTRMSDFHWVUZLG-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.13
Rot. Bonds5

About 2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone

2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 131656932) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID131656932
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccccc1)N1CCC2(CC1)CC(CC(=O)N1CCCC1)c1ccccc12
InChIInChI=1S/C27H32N2O3/c30-25(28-14-6-7-15-28)18-21-19-27(24-11-5-4-10-23(21)24)12-16-29(17-13-27)26(31)20-32-22-8-2-1-3-9-22/h1-5,8-11,21H,6-7,12-20H2
InChIKeyMTRMSDFHWVUZLG-UHFFFAOYSA-N
XLogP4.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661049
1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone
CID 121229522
2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
CID 131652878
1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid
CID 134073522
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97375785
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-cyclopentylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 131655151
1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954267
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
1-(4-methylpiperazin-1-yl)-2-[1'-(pyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131655232
1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376073
1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376072

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone (CID 131656932) is 2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone is O=C(COc1ccccc1)N1CCC2(CC1)CC(CC(=O)N1CCCC1)c1ccccc12.
What is the InChIKey of 2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is MTRMSDFHWVUZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c30-25(28-14-6-7-15-28)18-21-19-27(24-11-5-4-10-23(21)24)12-16-29(17-13-27)26(31)20-32-22-8-2-1-3-9-22/h1-5,8-11,21H,6-7,12-20H2.
What are the key properties of 2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone?
2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 432.56 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 131656932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).