N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide

C26H26F2N2O2S — CID 42379197

IUPACN-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CCN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C26H26F2N2O2S/c1-32-24-23(29-25(31)22-10-5-15-33-22)17-6-2-3-7-19(17)26(24)11-13-30(14-12-26)16-18-20(27)8-4-9-21(18)28/h2-10,15,23-24H,11-14,16H2,1H3,(H,29,31)/t23-,24+/m1/s1
InChIKeyCLQXIEXIPKTSLX-RPWUZVMVSA-N
MW468.57 g/mol
LogP5.06
Rot. Bonds5

About N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide

N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide (PubChem CID 42379197) has the molecular formula C26H26F2N2O2S and a molecular weight of 468.57 g/mol. Its IUPAC name is N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
PubChem CID42379197
Molecular FormulaC26H26F2N2O2S
Molecular Weight468.57 g/mol
Exact Mass468.17
IUPAC NameN-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CCN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C26H26F2N2O2S/c1-32-24-23(29-25(31)22-10-5-15-33-22)17-6-2-3-7-19(17)26(24)11-13-30(14-12-26)16-18-20(27)8-4-9-21(18)28/h2-10,15,23-24H,11-14,16H2,1H3,(H,29,31)/t23-,24+/m1/s1
InChIKeyCLQXIEXIPKTSLX-RPWUZVMVSA-N
XLogP5.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.57
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
CID 42275878
N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
CID 133109718
N-[(1S,2S)-1'-[(2,5-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide
CID 133134966
N-[(1R,2R)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 42210393
N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 133126917
N-[(1S,2S)-1'-[(5-chloro-2-hydroxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 133129328
N-[(1R,2R)-2-methoxy-1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 42372652
2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 70736734
N-[(1R,2R)-2-methoxy-1'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 42501496
N-[(1R,2R)-1'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 42344792
N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 42449927
N-[(1R,2R)-1'-[(8-fluoroquinolin-2-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42452316

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide (CID 42379197) is N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide is CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CCN(Cc1c(F)cccc1F)CC2.
What is the InChIKey of N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
The InChIKey is CLQXIEXIPKTSLX-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H26F2N2O2S/c1-32-24-23(29-25(31)22-10-5-15-33-22)17-6-2-3-7-19(17)26(24)11-13-30(14-12-26)16-18-20(27)8-4-9-21(18)28/h2-10,15,23-24H,11-14,16H2,1H3,(H,29,31)/t23-,24+/m1/s1.
What are the key properties of N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide has a molecular weight of 468.57 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42379197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).