2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C23H33N3O3 — CID 97376083

IUPAC2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOCC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCN(C)CC1)c1ccccc12
InChIInChI=1S/C23H33N3O3/c1-24-11-13-26(14-12-24)21(27)15-18-16-23(20-6-4-3-5-19(18)20)7-9-25(10-8-23)22(28)17-29-2/h3-6,18H,7-17H2,1-2H3/t18-/m0/s1
InChIKeyZPRSMDMPXOKJNP-SFHVURJKSA-N
MW399.54 g/mol
LogP1.84
Rot. Bonds4

About 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 97376083) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID97376083
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOCC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCN(C)CC1)c1ccccc12
InChIInChI=1S/C23H33N3O3/c1-24-11-13-26(14-12-24)21(27)15-18-16-23(20-6-4-3-5-19(18)20)7-9-25(10-8-23)22(28)17-29-2/h3-6,18H,7-17H2,1-2H3/t18-/m0/s1
InChIKeyZPRSMDMPXOKJNP-SFHVURJKSA-N
XLogP1.84
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one
CID 131657875
2-ethyl-1-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one;hydrochloride
CID 155843798
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97375785
2-[(1S)-1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376058
1-(4-methylpiperazin-1-yl)-2-[1'-(pyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131655232
N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376033
1-(4-methylpiperazin-1-yl)-2-[1'-(2-methylpropylsulfonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661558
1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376046
2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
CID 131656932
1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376072
1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376073
1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131647651

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 97376083) is 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is COCC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCN(C)CC1)c1ccccc12.
What is the InChIKey of 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is ZPRSMDMPXOKJNP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-24-11-13-26(14-12-24)21(27)15-18-16-23(20-6-4-3-5-19(18)20)7-9-25(10-8-23)22(28)17-29-2/h3-6,18H,7-17H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 399.54 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 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]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 97376083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).