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

C21H22F2N2O2 — CID 56888401

IUPAC1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone
SMILESN[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3c(F)cccc3F)CC2)[C@H]1O
InChIInChI=1S/C21H22F2N2O2/c22-16-6-3-7-17(23)14(16)12-18(26)25-10-8-21(9-11-25)15-5-2-1-4-13(15)19(24)20(21)27/h1-7,19-20,27H,8-12,24H2/t19-,20+/m1/s1
InChIKeyRECFEFUYVMYUKH-UXHICEINSA-N
MW372.42 g/mol
LogP2.44
Rot. Bonds2

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

1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone (PubChem CID 56888401) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone
PubChem CID56888401
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone
SMILESN[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3c(F)cccc3F)CC2)[C@H]1O
InChIInChI=1S/C21H22F2N2O2/c22-16-6-3-7-17(23)14(16)12-18(26)25-10-8-21(9-11-25)15-5-2-1-4-13(15)19(24)20(21)27/h1-7,19-20,27H,8-12,24H2/t19-,20+/m1/s1
InChIKeyRECFEFUYVMYUKH-UXHICEINSA-N
XLogP2.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(S)-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2-(R)-indanol
CID 10177403
(3R,6R)-1-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 11495934
1-(R)-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2-(S)-indanol
CID 9885901
(2R,4S)-2-Benzyl-4-hydroxy-5-phenyl-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide
CID 16052381
rel-(2R,3R)-3-amino-1'-[(2-hydroxy-6-methyl-3-pyridinyl)carbonyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56888472
N-{2-[(2R*,3R*)-3-amino-2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl]-2-oxoethyl}-2-methylpropanamide
CID 56892723
5-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 56894274
(2R*,3R*)-3-amino-1'-(3-fluoro-4-methylbenzoyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56904306
2,6-difluoro-N-[rel-(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-3-methylbenzamide hydrochloride
CID 70704573
N-[(2R*,3R*)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-phenylacetamide
CID 70740066
4-fluoro-N-[rel-(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]benzamide hydrochloride
CID 70788499
Benzenepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-alpha-(phenylmethyl)-, (aR,gS)-
CID 5480787

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone?
The IUPAC name of 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone (CID 56888401) is 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone is N[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3c(F)cccc3F)CC2)[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone?
The InChIKey is RECFEFUYVMYUKH-UXHICEINSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c22-16-6-3-7-17(23)14(16)12-18(26)25-10-8-21(9-11-25)15-5-2-1-4-13(15)19(24)20(21)27/h1-7,19-20,27H,8-12,24H2/t19-,20+/m1/s1.
What are the key properties of 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone?
1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone has a molecular weight of 372.42 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 56888401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).