4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

C21H23FN2O2 — CID 133124703

IUPAC4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESCO[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2)c2ccccc2C12CCNCC2
InChIInChI=1S/C21H23FN2O2/c1-26-19-18(24-20(25)14-6-8-15(22)9-7-14)16-4-2-3-5-17(16)21(19)10-12-23-13-11-21/h2-9,18-19,23H,10-13H2,1H3,(H,24,25)/t18-,19+/m0/s1
InChIKeyVBMNSBZOAGXPTN-RBUKOAKNSA-N
MW354.43 g/mol
LogP2.95
Rot. Bonds3

About 4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (PubChem CID 133124703) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
PubChem CID133124703
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESCO[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2)c2ccccc2C12CCNCC2
InChIInChI=1S/C21H23FN2O2/c1-26-19-18(24-20(25)14-6-8-15(22)9-7-14)16-4-2-3-5-17(16)21(19)10-12-23-13-11-21/h2-9,18-19,23H,10-13H2,1H3,(H,24,25)/t18-,19+/m0/s1
InChIKeyVBMNSBZOAGXPTN-RBUKOAKNSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide with MolForge

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Related Compounds

N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride
CID 154895204
2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 70736734
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 154894094
4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride
CID 154895064
2-(2-methoxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133115310
N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide
CID 133132058
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride
CID 154893991
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133138249
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 154893274
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 70718055
N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42167159
N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 133122330

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (CID 133124703) is 4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is CO[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2)c2ccccc2C12CCNCC2.
What is the InChIKey of 4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The InChIKey is VBMNSBZOAGXPTN-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-26-19-18(24-20(25)14-6-8-15(22)9-7-14)16-4-2-3-5-17(16)21(19)10-12-23-13-11-21/h2-9,18-19,23H,10-13H2,1H3,(H,24,25)/t18-,19+/m0/s1.
What are the key properties of 4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide has a molecular weight of 354.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is sourced from PubChem (CID 133124703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).