2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C22H24F2N2O2 — CID 70736734

IUPAC2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCO[C@H]1[C@H](NC(=O)Cc2c(F)cccc2F)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H24F2N2O2/c1-28-21-20(26-19(27)13-15-17(23)7-4-8-18(15)24)14-5-2-3-6-16(14)22(21)9-11-25-12-10-22/h2-8,20-21,25H,9-13H2,1H3,(H,26,27)/t20-,21+/m1/s1
InChIKeyBKKOOHZPZWYBSB-RTWAWAEBSA-N
MW386.44 g/mol
LogP3.01
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 70736734) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID70736734
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCO[C@H]1[C@H](NC(=O)Cc2c(F)cccc2F)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H24F2N2O2/c1-28-21-20(26-19(27)13-15-17(23)7-4-8-18(15)24)14-5-2-3-6-16(14)22(21)9-11-25-12-10-22/h2-8,20-21,25H,9-13H2,1H3,(H,26,27)/t20-,21+/m1/s1
InChIKeyBKKOOHZPZWYBSB-RTWAWAEBSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 56887275
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133138249
2-(2-methoxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133115310
4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 133124703
N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide
CID 133132058
N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 133122330
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 154893274
3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 56898735
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride
CID 154894928
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;hydrochloride
CID 154894211
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 154894094
N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide
CID 133120386

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 70736734) is 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CO[C@H]1[C@H](NC(=O)Cc2c(F)cccc2F)c2ccccc2C12CCNCC2.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is BKKOOHZPZWYBSB-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-28-21-20(26-19(27)13-15-17(23)7-4-8-18(15)24)14-5-2-3-6-16(14)22(21)9-11-25-12-10-22/h2-8,20-21,25H,9-13H2,1H3,(H,26,27)/t20-,21+/m1/s1.
What are the key properties of 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 386.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 70736734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).