1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid

C23H25NO5 — CID 134073522

IUPAC1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid
SMILESCOc1ccc(OCC(=O)N2CCC3(CC2)CC(C(=O)O)c2ccccc23)cc1
InChIInChI=1S/C23H25NO5/c1-28-16-6-8-17(9-7-16)29-15-21(25)24-12-10-23(11-13-24)14-19(22(26)27)18-4-2-3-5-20(18)23/h2-9,19H,10-15H2,1H3,(H,26,27)
InChIKeyMEXSGYXCVXKGCR-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.21
Rot. Bonds5

About 1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid

1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid (PubChem CID 134073522) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid.

Molecular Properties

Compound Name1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid
PubChem CID134073522
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid
SMILESCOc1ccc(OCC(=O)N2CCC3(CC2)CC(C(=O)O)c2ccccc23)cc1
InChIInChI=1S/C23H25NO5/c1-28-16-6-8-17(9-7-16)29-15-21(25)24-12-10-23(11-13-24)14-19(22(26)27)18-4-2-3-5-20(18)23/h2-9,19H,10-15H2,1H3,(H,26,27)
InChIKeyMEXSGYXCVXKGCR-UHFFFAOYSA-N
XLogP3.21
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
CID 131656932
1-morpholin-4-yl-2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661049
1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618226
N-[1'-[2-(4-methoxyphenyl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 134789216
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050601
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376083
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
2-[(1S)-1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376058
2-(1-hydroxycyclobutyl)-1-[1-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanone
CID 131696461
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid?
The IUPAC name of 1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid (CID 134073522) is 1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid.
What is the SMILES notation for 1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid?
The canonical SMILES for 1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid is COc1ccc(OCC(=O)N2CCC3(CC2)CC(C(=O)O)c2ccccc23)cc1.
What is the InChIKey of 1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid?
The InChIKey is MEXSGYXCVXKGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-28-16-6-8-17(9-7-16)29-15-21(25)24-12-10-23(11-13-24)14-19(22(26)27)18-4-2-3-5-20(18)23/h2-9,19H,10-15H2,1H3,(H,26,27).
What are the key properties of 1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid?
1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid has a molecular weight of 395.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid is sourced from PubChem (CID 134073522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).