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

C27H32N2O4 — CID 42168271

IUPACN-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide
SMILESCO[C@H]1[C@H](NC(=O)COc2ccccc2)c2ccccc2C12CCN(C(=O)C1(C)CC1)CC2
InChIInChI=1S/C27H32N2O4/c1-26(12-13-26)25(31)29-16-14-27(15-17-29)21-11-7-6-10-20(21)23(24(27)32-2)28-22(30)18-33-19-8-4-3-5-9-19/h3-11,23-24H,12-18H2,1-2H3,(H,28,30)/t23-,24+/m1/s1
InChIKeyZLAOGBRVRBMCPP-RPWUZVMVSA-N
MW448.56 g/mol
LogP3.61
Rot. Bonds6

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

N-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide (PubChem CID 42168271) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide
PubChem CID42168271
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC NameN-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide
SMILESCO[C@H]1[C@H](NC(=O)COc2ccccc2)c2ccccc2C12CCN(C(=O)C1(C)CC1)CC2
InChIInChI=1S/C27H32N2O4/c1-26(12-13-26)25(31)29-16-14-27(15-17-29)21-11-7-6-10-20(21)23(24(27)32-2)28-22(30)18-33-19-8-4-3-5-9-19/h3-11,23-24H,12-18H2,1-2H3,(H,28,30)/t23-,24+/m1/s1
InChIKeyZLAOGBRVRBMCPP-RPWUZVMVSA-N
XLogP3.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-[(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-[(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'-[(3,5-dimethoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 26281951
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'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 42449927
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
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133138249
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-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide (CID 42168271) is N-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide is CO[C@H]1[C@H](NC(=O)COc2ccccc2)c2ccccc2C12CCN(C(=O)C1(C)CC1)CC2.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide?
The InChIKey is ZLAOGBRVRBMCPP-RPWUZVMVSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-26(12-13-26)25(31)29-16-14-27(15-17-29)21-11-7-6-10-20(21)23(24(27)32-2)28-22(30)18-33-19-8-4-3-5-9-19/h3-11,23-24H,12-18H2,1-2H3,(H,28,30)/t23-,24+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide?
N-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide has a molecular weight of 448.56 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-(1-methylcyclopropanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide is sourced from PubChem (CID 42168271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).