1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one

C22H25FN2O2 — CID 56901781

IUPAC1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one
SMILESN[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3ccccc3F)CC2)[C@H]1O
InChIInChI=1S/C22H25FN2O2/c23-18-8-4-1-5-15(18)9-10-19(26)25-13-11-22(12-14-25)17-7-3-2-6-16(17)20(24)21(22)27/h1-8,20-21,27H,9-14,24H2/t20-,21+/m1/s1
InChIKeyHWGHDJOQXHXRFR-RTWAWAEBSA-N
MW368.45 g/mol
LogP2.69
Rot. Bonds3

About 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one

1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one (PubChem CID 56901781) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one
PubChem CID56901781
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one
SMILESN[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3ccccc3F)CC2)[C@H]1O
InChIInChI=1S/C22H25FN2O2/c23-18-8-4-1-5-15(18)9-10-19(26)25-13-11-22(12-14-25)17-7-3-2-6-16(17)20(24)21(22)27/h1-8,20-21,27H,9-14,24H2/t20-,21+/m1/s1
InChIKeyHWGHDJOQXHXRFR-RTWAWAEBSA-N
XLogP2.69
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.69
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
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-N-tert-butyl-piperidine-2-carboxamide
CID 5479519
(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
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperidine-2-carboxamide
CID 44343330
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

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one (CID 56901781) is 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one is N[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3ccccc3F)CC2)[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one?
The InChIKey is HWGHDJOQXHXRFR-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-18-8-4-1-5-15(18)9-10-19(26)25-13-11-22(12-14-25)17-7-3-2-6-16(17)20(24)21(22)27/h1-8,20-21,27H,9-14,24H2/t20-,21+/m1/s1.
What are the key properties of 1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one?
1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one has a molecular weight of 368.45 g/mol, XLogP of 2.69, 3 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]-3-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 56901781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).