N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide

C28H32N4O4 — CID 42370039

IUPACN-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide
SMILESCO[C@H]1[C@H](NC(=O)COc2ccccc2)c2ccccc2C12CCN(C(=O)Cn1ccc(C)n1)CC2
InChIInChI=1S/C28H32N4O4/c1-20-12-15-32(30-20)18-25(34)31-16-13-28(14-17-31)23-11-7-6-10-22(23)26(27(28)35-2)29-24(33)19-36-21-8-4-3-5-9-21/h3-12,15,26-27H,13-14,16-19H2,1-2H3,(H,29,33)/t26-,27+/m1/s1
InChIKeyHQFZVLCXHAOFLF-SXOMAYOGSA-N
MW488.59 g/mol
LogP3.02
Rot. Bonds7

About N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide

N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide (PubChem CID 42370039) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide
PubChem CID42370039
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide
SMILESCO[C@H]1[C@H](NC(=O)COc2ccccc2)c2ccccc2C12CCN(C(=O)Cn1ccc(C)n1)CC2
InChIInChI=1S/C28H32N4O4/c1-20-12-15-32(30-20)18-25(34)31-16-13-28(14-17-31)23-11-7-6-10-22(23)26(27(28)35-2)29-24(33)19-36-21-8-4-3-5-9-21/h3-12,15,26-27H,13-14,16-19H2,1-2H3,(H,29,33)/t26-,27+/m1/s1
InChIKeyHQFZVLCXHAOFLF-SXOMAYOGSA-N
XLogP3.02
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide
CID 42168271
N-[(1R,2R)-1'-(3,3-dimethylbutanoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
CID 42449603
N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
CID 42247970
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride
CID 154894928
N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide
CID 133134918
N-[(1R,2R)-2-methoxy-1'-(2-phenylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 118756510
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'-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 126463682
N-[(1R,2R)-2-methoxy-1'-(naphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42380929
N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 26345479
N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
CID 133109718
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133138249

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide (CID 42370039) is N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide is CO[C@H]1[C@H](NC(=O)COc2ccccc2)c2ccccc2C12CCN(C(=O)Cn1ccc(C)n1)CC2.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide?
The InChIKey is HQFZVLCXHAOFLF-SXOMAYOGSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-20-12-15-32(30-20)18-25(34)31-16-13-28(14-17-31)23-11-7-6-10-22(23)26(27(28)35-2)29-24(33)19-36-21-8-4-3-5-9-21/h3-12,15,26-27H,13-14,16-19H2,1-2H3,(H,29,33)/t26-,27+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide?
N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide has a molecular weight of 488.59 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide is sourced from PubChem (CID 42370039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).