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

C22H30N2O — CID 71177426

IUPACN-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCN([C@H]3CC4CC[C@@H]3C4)CC2)c2ccccc21
InChIInChI=1S/C22H30N2O/c1-15(25)23-20-14-22(19-5-3-2-4-18(19)20)8-10-24(11-9-22)21-13-16-6-7-17(21)12-16/h2-5,16-17,20-21H,6-14H2,1H3,(H,23,25)/t16?,17-,20+,21+/m1/s1
InChIKeyBJRAFUBGFUTNNO-ADNNQNTOSA-N
MW338.50 g/mol
LogP3.79
Rot. Bonds2

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

N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 71177426) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID71177426
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCN([C@H]3CC4CC[C@@H]3C4)CC2)c2ccccc21
InChIInChI=1S/C22H30N2O/c1-15(25)23-20-14-22(19-5-3-2-4-18(19)20)8-10-24(11-9-22)21-13-16-6-7-17(21)12-16/h2-5,16-17,20-21H,6-14H2,1H3,(H,23,25)/t16?,17-,20+,21+/m1/s1
InChIKeyBJRAFUBGFUTNNO-ADNNQNTOSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 71177426) is N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@H]1CC2(CCN([C@H]3CC4CC[C@@H]3C4)CC2)c2ccccc21.
What is the InChIKey of N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is BJRAFUBGFUTNNO-ADNNQNTOSA-N. The full InChI is InChI=1S/C22H30N2O/c1-15(25)23-20-14-22(19-5-3-2-4-18(19)20)8-10-24(11-9-22)21-13-16-6-7-17(21)12-16/h2-5,16-17,20-21H,6-14H2,1H3,(H,23,25)/t16?,17-,20+,21+/m1/s1.
What are the key properties of N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 338.50 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 71177426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).