N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide

C27H30N2O3S — CID 133126917

IUPACN-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCOc1cccc(CN2CCC3(CC2)c2ccccc2[C@H](NC(=O)c2ccsc2)[C@H]3OC)c1
InChIInChI=1S/C27H30N2O3S/c1-31-21-7-5-6-19(16-21)17-29-13-11-27(12-14-29)23-9-4-3-8-22(23)24(25(27)32-2)28-26(30)20-10-15-33-18-20/h3-10,15-16,18,24-25H,11-14,17H2,1-2H3,(H,28,30)/t24-,25+/m0/s1
InChIKeyKGBTZBAONXLPTF-LOSJGSFVSA-N
MW462.62 g/mol
LogP4.79
Rot. Bonds6

About N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide

N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (PubChem CID 133126917) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
PubChem CID133126917
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC NameN-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCOc1cccc(CN2CCC3(CC2)c2ccccc2[C@H](NC(=O)c2ccsc2)[C@H]3OC)c1
InChIInChI=1S/C27H30N2O3S/c1-31-21-7-5-6-19(16-21)17-29-13-11-27(12-14-29)23-9-4-3-8-22(23)24(25(27)32-2)28-26(30)20-10-15-33-18-20/h3-10,15-16,18,24-25H,11-14,17H2,1-2H3,(H,28,30)/t24-,25+/m0/s1
InChIKeyKGBTZBAONXLPTF-LOSJGSFVSA-N
XLogP4.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 42210393
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)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 126462847
N-[(1R,2R)-2-methoxy-1'-(4-methylpent-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 171138159
N-[(1S,2S)-1'-(isoquinolin-5-ylmethyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 133114051
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-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide
CID 42324711
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)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
CID 42275878
N-[(1R,2R)-2-methoxy-1'-(naphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42380929
N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
CID 133109718
N-[(1R,2R)-1'-[(2,5-dimethoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42372870

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (CID 133126917) is N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is COc1cccc(CN2CCC3(CC2)c2ccccc2[C@H](NC(=O)c2ccsc2)[C@H]3OC)c1.
What is the InChIKey of N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The InChIKey is KGBTZBAONXLPTF-LOSJGSFVSA-N. The full InChI is InChI=1S/C27H30N2O3S/c1-31-21-7-5-6-19(16-21)17-29-13-11-27(12-14-29)23-9-4-3-8-22(23)24(25(27)32-2)28-26(30)20-10-15-33-18-20/h3-10,15-16,18,24-25H,11-14,17H2,1-2H3,(H,28,30)/t24-,25+/m0/s1.
What are the key properties of N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is sourced from PubChem (CID 133126917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).