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

C22H32N2O — CID 158496894

IUPACN-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(=O)N[C@H]1CC2(CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21.[H][H]
InChIInChI=1S/C22H30N2O.H2/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);1H/t16-,17-,20+,21+;/m1./s1
InChIKeyHJKCJNDFSGRRAF-DEPBPSHJSA-N
MW340.51 g/mol
LogP4.04
Rot. Bonds2

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

N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 158496894) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
PubChem CID158496894
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(=O)N[C@H]1CC2(CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21.[H][H]
InChIInChI=1S/C22H30N2O.H2/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);1H/t16-,17-,20+,21+;/m1./s1
InChIKeyHJKCJNDFSGRRAF-DEPBPSHJSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen with MolForge

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Related Compounds

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
N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 70957798
N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
CID 160771427
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'-cycloheptylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;molecular hydrogen
CID 161073343
N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433832
N-[(1S)-1'-(1,3-dimethylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59432992
molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 162094344
acetaldehyde;N-[1'-[[(2S)-2-bicyclo[2.2.2]octanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;(1R)-1'-[(2S)-2-bicyclo[2.2.2]octanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;N-[1'-(2-bicyclo[2.2.2]oct-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 162085092
N-[(1S)-spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-yl]acetamide
CID 158697736
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541063

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The IUPAC name of 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) is N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(=O)N[C@H]1CC2(CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21.[H][H].
What is the InChIKey of N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The InChIKey is HJKCJNDFSGRRAF-DEPBPSHJSA-N. The full InChI is InChI=1S/C22H30N2O.H2/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);1H/t16-,17-,20+,21+;/m1./s1.
What are the key properties of N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 340.51 g/mol, XLogP of 4.04, 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,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 158496894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).