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

C30H32N2O3 — CID 42247970

IUPACN-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
SMILESCO[C@H]1[C@H](NC(=O)Cc2ccccc2)c2ccccc2C12CCN(C(=O)c1cccc(C)c1)CC2
InChIInChI=1S/C30H32N2O3/c1-21-9-8-12-23(19-21)29(34)32-17-15-30(16-18-32)25-14-7-6-13-24(25)27(28(30)35-2)31-26(33)20-22-10-4-3-5-11-22/h3-14,19,27-28H,15-18,20H2,1-2H3,(H,31,33)/t27-,28+/m1/s1
InChIKeyWOBRDJCXUMHCBT-IZLXSDGUSA-N
MW468.60 g/mol
LogP4.60
Rot. Bonds5

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

N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide (PubChem CID 42247970) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
PubChem CID42247970
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC NameN-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
SMILESCO[C@H]1[C@H](NC(=O)Cc2ccccc2)c2ccccc2C12CCN(C(=O)c1cccc(C)c1)CC2
InChIInChI=1S/C30H32N2O3/c1-21-9-8-12-23(19-21)29(34)32-17-15-30(16-18-32)25-14-7-6-13-24(25)27(28(30)35-2)31-26(33)20-22-10-4-3-5-11-22/h3-14,19,27-28H,15-18,20H2,1-2H3,(H,31,33)/t27-,28+/m1/s1
InChIKeyWOBRDJCXUMHCBT-IZLXSDGUSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42453668
N-[(1R,2R)-2-methoxy-1'-(2-phenylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 118756510
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'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42167159
N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide
CID 26274622
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133138249
N-[(1R,2R)-2-methoxy-1'-(3-phenylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 26283267
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
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'-[(3,5-dimethoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 26281951
N-[(1S,2S)-1'-(1,3-benzodioxole-5-carbonyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 133126931

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide (CID 42247970) is N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide is CO[C@H]1[C@H](NC(=O)Cc2ccccc2)c2ccccc2C12CCN(C(=O)c1cccc(C)c1)CC2.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide?
The InChIKey is WOBRDJCXUMHCBT-IZLXSDGUSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-21-9-8-12-23(19-21)29(34)32-17-15-30(16-18-32)25-14-7-6-13-24(25)27(28(30)35-2)31-26(33)20-22-10-4-3-5-11-22/h3-14,19,27-28H,15-18,20H2,1-2H3,(H,31,33)/t27-,28+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide?
N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide has a molecular weight of 468.60 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide is sourced from PubChem (CID 42247970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).