2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide

C21H30N2O3 — CID 97375785

IUPAC2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
SMILESCOCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC(C)C)c1ccccc12
InChIInChI=1S/C21H30N2O3/c1-15(2)22-19(24)12-16-13-21(18-7-5-4-6-17(16)18)8-10-23(11-9-21)20(25)14-26-3/h4-7,15-16H,8-14H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyWLZOJNNUJFUMQV-INIZCTEOSA-N
MW358.48 g/mol
LogP2.60
Rot. Bonds5

About 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide

2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide (PubChem CID 97375785) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
PubChem CID97375785
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
SMILESCOCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC(C)C)c1ccccc12
InChIInChI=1S/C21H30N2O3/c1-15(2)22-19(24)12-16-13-21(18-7-5-4-6-17(16)18)8-10-23(11-9-21)20(25)14-26-3/h4-7,15-16H,8-14H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyWLZOJNNUJFUMQV-INIZCTEOSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97400614
(1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97375787
N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376033
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376083
2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97375753
2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
CID 131656932
1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954267
1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 131661630
(1S)-1-[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97376139
2-[1'-(2-cyclopentylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 131655151
N-cyclopropyl-2-[1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131661571
1-morpholin-4-yl-2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661049

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide (CID 97375785) is 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide is COCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC(C)C)c1ccccc12.
What is the InChIKey of 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide?
The InChIKey is WLZOJNNUJFUMQV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15(2)22-19(24)12-16-13-21(18-7-5-4-6-17(16)18)8-10-23(11-9-21)20(25)14-26-3/h4-7,15-16H,8-14H2,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide?
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide has a molecular weight of 358.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 97375785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).