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

C27H29FN2O3S — CID 42275878

IUPACN-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
SMILESCOc1ccc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2cccs2)[C@@H]3OC)c(F)c1
InChIInChI=1S/C27H29FN2O3S/c1-32-19-10-9-18(22(28)16-19)17-30-13-11-27(12-14-30)21-7-4-3-6-20(21)24(25(27)33-2)29-26(31)23-8-5-15-34-23/h3-10,15-16,24-25H,11-14,17H2,1-2H3,(H,29,31)/t24-,25+/m1/s1
InChIKeyUZCGBSAWPLNQJD-RPBOFIJWSA-N
MW480.61 g/mol
LogP4.93
Rot. Bonds6

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

N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide (PubChem CID 42275878) has the molecular formula C27H29FN2O3S and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
PubChem CID42275878
Molecular FormulaC27H29FN2O3S
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC NameN-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
SMILESCOc1ccc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2cccs2)[C@@H]3OC)c(F)c1
InChIInChI=1S/C27H29FN2O3S/c1-32-19-10-9-18(22(28)16-19)17-30-13-11-27(12-14-30)21-7-4-3-6-20(21)24(25(27)33-2)29-26(31)23-8-5-15-34-23/h3-10,15-16,24-25H,11-14,17H2,1-2H3,(H,29,31)/t24-,25+/m1/s1
InChIKeyUZCGBSAWPLNQJD-RPBOFIJWSA-N
XLogP4.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
CID 42379197
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-[(1R,2R)-1'-[(2,5-dimethoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42372870
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'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 42501496
N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42095101
N-[(1R,2R)-1'-[(3,5-dimethoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 26281951
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
N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 26275022
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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide (CID 42275878) is N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)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-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide is COc1ccc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2cccs2)[C@@H]3OC)c(F)c1.
What is the InChIKey of N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
The InChIKey is UZCGBSAWPLNQJD-RPBOFIJWSA-N. The full InChI is InChI=1S/C27H29FN2O3S/c1-32-19-10-9-18(22(28)16-19)17-30-13-11-27(12-14-30)21-7-4-3-6-20(21)24(25(27)33-2)29-26(31)23-8-5-15-34-23/h3-10,15-16,24-25H,11-14,17H2,1-2H3,(H,29,31)/t24-,25+/m1/s1.
What are the key properties of N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide?
N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42275878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).