2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide

C24H34N2O2 — CID 131646569

IUPAC2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CC2(CCN(C(=O)C3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C24H34N2O2/c1-25(2)22(27)16-19-17-24(21-11-7-6-10-20(19)21)12-14-26(15-13-24)23(28)18-8-4-3-5-9-18/h6-7,10-11,18-19H,3-5,8-9,12-17H2,1-2H3
InChIKeyFVINKBALNRQRIN-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.09
Rot. Bonds3

About 2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide

2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide (PubChem CID 131646569) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
PubChem CID131646569
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CC2(CCN(C(=O)C3CCCCC3)CC2)c2ccccc21
InChIInChI=1S/C24H34N2O2/c1-25(2)22(27)16-19-17-24(21-11-7-6-10-20(19)21)12-14-26(15-13-24)23(28)18-8-4-3-5-9-18/h6-7,10-11,18-19H,3-5,8-9,12-17H2,1-2H3
InChIKeyFVINKBALNRQRIN-UHFFFAOYSA-N
XLogP4.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1'-(2-cyclopentylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 131655151
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131649138
2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
CID 131646499
N,N-dimethyl-2-[(1S)-1'-pyrimidin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97452698
1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 131661630
N-cyclobutyl-2-[1'-(oxane-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131650515
(1S)-1-[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97376139
(1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97375787
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155848462
N,N-dimethyl-2-[(1S)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375833
2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97400614
2-[(1R)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 97375836

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide (CID 131646569) is 2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1CC2(CCN(C(=O)C3CCCCC3)CC2)c2ccccc21.
What is the InChIKey of 2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide?
The InChIKey is FVINKBALNRQRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-25(2)22(27)16-19-17-24(21-11-7-6-10-20(19)21)12-14-26(15-13-24)23(28)18-8-4-3-5-9-18/h6-7,10-11,18-19H,3-5,8-9,12-17H2,1-2H3.
What are the key properties of 2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide?
2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide has a molecular weight of 382.55 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 131646569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).