N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C22H33N3O3 — CID 97376033

IUPACN-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCOCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NCCN(C)C)c1ccccc12
InChIInChI=1S/C22H33N3O3/c1-24(2)13-10-23-20(26)14-17-15-22(19-7-5-4-6-18(17)19)8-11-25(12-9-22)21(27)16-28-3/h4-7,17H,8-16H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyIZWWBHTZMWMKMK-KRWDZBQOSA-N
MW387.52 g/mol
LogP1.75
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 97376033) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID97376033
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCOCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NCCN(C)C)c1ccccc12
InChIInChI=1S/C22H33N3O3/c1-24(2)13-10-23-20(26)14-17-15-22(19-7-5-4-6-18(17)19)8-11-25(12-9-22)21(27)16-28-3/h4-7,17H,8-16H2,1-3H3,(H,23,26)/t17-/m0/s1
InChIKeyIZWWBHTZMWMKMK-KRWDZBQOSA-N
XLogP1.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97375785
N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131647919
N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155843627
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376083
N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375988
N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375993
N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376005
N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376004
N-[2-(dimethylamino)ethyl]-2-[1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155863331
(1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97375787
(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

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 97376033) is N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is COCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NCCN(C)C)c1ccccc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is IZWWBHTZMWMKMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-24(2)13-10-23-20(26)14-17-15-22(19-7-5-4-6-18(17)19)8-11-25(12-9-22)21(27)16-28-3/h4-7,17H,8-16H2,1-3H3,(H,23,26)/t17-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 387.52 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 97376033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).