2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide

C24H29FN2O2 — CID 155876652

IUPAC2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
SMILESCNC(=O)CC1CC2(CCN(Cc3cccc(OC)c3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H29FN2O2/c1-26-23(28)13-18-15-24(22-14-19(25)6-7-21(18)22)8-10-27(11-9-24)16-17-4-3-5-20(12-17)29-2/h3-7,12,14,18H,8-11,13,15-16H2,1-2H3,(H,26,28)
InChIKeyWFLDQARXWCKSJJ-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.99
Rot. Bonds5

About 2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide

2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide (PubChem CID 155876652) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
PubChem CID155876652
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
SMILESCNC(=O)CC1CC2(CCN(Cc3cccc(OC)c3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H29FN2O2/c1-26-23(28)13-18-15-24(22-14-19(25)6-7-21(18)22)8-10-27(11-9-24)16-17-4-3-5-20(12-17)29-2/h3-7,12,14,18H,8-11,13,15-16H2,1-2H3,(H,26,28)
InChIKeyWFLDQARXWCKSJJ-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide with MolForge

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Related Compounds

2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
CID 97375716
N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375802
N-methyl-2-[1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131657425
N-cyclobutyl-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375886
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
2-[(1S)-1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376058
N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide
CID 42324711
N-(2,4-difluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43923139
4-[[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 92599632
methyl 2-[1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate
CID 71199702
N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376005
N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376004

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide?
The IUPAC name of 2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide (CID 155876652) is 2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide is CNC(=O)CC1CC2(CCN(Cc3cccc(OC)c3)CC2)c2cc(F)ccc21.
What is the InChIKey of 2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide?
The InChIKey is WFLDQARXWCKSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-26-23(28)13-18-15-24(22-14-19(25)6-7-21(18)22)8-10-27(11-9-24)16-17-4-3-5-20(12-17)29-2/h3-7,12,14,18H,8-11,13,15-16H2,1-2H3,(H,26,28).
What are the key properties of 2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide?
2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide has a molecular weight of 396.51 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide is sourced from PubChem (CID 155876652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).