N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide

C24H34N2O — CID 59613138

IUPACN-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CC2(CCN(C[C@H]3C[C@H]4CC[C@@H]3C4)CC2)c2ccccc21
InChIInChI=1S/C24H34N2O/c1-17(27)25(2)23-15-24(22-6-4-3-5-21(22)23)9-11-26(12-10-24)16-20-14-18-7-8-19(20)13-18/h3-6,18-20,23H,7-16H2,1-2H3/t18-,19+,20+,23+/m0/s1
InChIKeyNBQKURSDCBUTEG-DZCCDHAISA-N
MW366.55 g/mol
LogP4.38
Rot. Bonds3

About N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide

N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide (PubChem CID 59613138) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
PubChem CID59613138
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CC2(CCN(C[C@H]3C[C@H]4CC[C@@H]3C4)CC2)c2ccccc21
InChIInChI=1S/C24H34N2O/c1-17(27)25(2)23-15-24(22-6-4-3-5-21(22)23)9-11-26(12-10-24)16-20-14-18-7-8-19(20)13-18/h3-6,18-20,23H,7-16H2,1-2H3/t18-,19+,20+,23+/m0/s1
InChIKeyNBQKURSDCBUTEG-DZCCDHAISA-N
XLogP4.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1'-[[(2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylmethanesulfonamide;ethyl 3-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;N-[(1S)-1'-[(3R)-3-methylcyclohexyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 161292380
2-[(1S)-1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-diethylacetamide
CID 97376186
N-[(1R)-1'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433560
N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 71177426
ethyl N-[(1S)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylcarbamate
CID 70957690
N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 158496894
N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 11950308
3-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-dimethylurea
CID 59614184
1-[1'-(2-bicyclo[2.2.2]octanylmethyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
CID 59433070
N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide
CID 134077715
3-[(1S)-1'-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-di(propan-2-yl)urea
CID 59614249
N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 70957798

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide?
The IUPAC name of N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide (CID 59613138) is N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide is CC(=O)N(C)[C@@H]1CC2(CCN(C[C@H]3C[C@H]4CC[C@@H]3C4)CC2)c2ccccc21.
What is the InChIKey of N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide?
The InChIKey is NBQKURSDCBUTEG-DZCCDHAISA-N. The full InChI is InChI=1S/C24H34N2O/c1-17(27)25(2)23-15-24(22-6-4-3-5-21(22)23)9-11-26(12-10-24)16-20-14-18-7-8-19(20)13-18/h3-6,18-20,23H,7-16H2,1-2H3/t18-,19+,20+,23+/m0/s1.
What are the key properties of N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide?
N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide has a molecular weight of 366.55 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide is sourced from PubChem (CID 59613138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).