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

C21H22F2N2O2 — CID 56887275

IUPAC2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESO=C(Cc1c(F)cccc1F)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C21H22F2N2O2/c22-16-6-3-7-17(23)14(16)12-18(26)25-19-13-4-1-2-5-15(13)21(20(19)27)8-10-24-11-9-21/h1-7,19-20,24,27H,8-12H2,(H,25,26)/t19-,20+/m1/s1
InChIKeyHASKJHXTRLNXPR-UXHICEINSA-N
MW372.42 g/mol
LogP2.36
Rot. Bonds3

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

2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 56887275) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID56887275
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESO=C(Cc1c(F)cccc1F)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C21H22F2N2O2/c22-16-6-3-7-17(23)14(16)12-18(26)25-19-13-4-1-2-5-15(13)21(20(19)27)8-10-24-11-9-21/h1-7,19-20,24,27H,8-12H2,(H,25,26)/t19-,20+/m1/s1
InChIKeyHASKJHXTRLNXPR-UXHICEINSA-N
XLogP2.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 70736734
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 56898268
3-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 133123385
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133138249
3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 56898735
2-(2-methoxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133115310
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
N-[(1R,2R)-1'-[(2-fluorophenyl)methyl]-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 26275282
N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide
CID 133120386
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide
CID 56898212
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 56894795

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 56887275) is 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is O=C(Cc1c(F)cccc1F)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is HASKJHXTRLNXPR-UXHICEINSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c22-16-6-3-7-17(23)14(16)12-18(26)25-19-13-4-1-2-5-15(13)21(20(19)27)8-10-24-11-9-21/h1-7,19-20,24,27H,8-12H2,(H,25,26)/t19-,20+/m1/s1.
What are the key properties of 2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 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-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 56887275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).