3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

C22H25FN2O2 — CID 56891188

IUPAC3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESO=C(CCc1ccccc1F)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C22H25FN2O2/c23-18-8-4-1-5-15(18)9-10-19(26)25-20-16-6-2-3-7-17(16)22(21(20)27)11-13-24-14-12-22/h1-8,20-21,24,27H,9-14H2,(H,25,26)/t20-,21+/m1/s1
InChIKeyJGONQMWRVXWVJZ-RTWAWAEBSA-N
MW368.45 g/mol
LogP2.61
Rot. Bonds4

About 3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (PubChem CID 56891188) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
PubChem CID56891188
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESO=C(CCc1ccccc1F)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C22H25FN2O2/c23-18-8-4-1-5-15(18)9-10-19(26)25-20-16-6-2-3-7-17(16)22(21(20)27)11-13-24-14-12-22/h1-8,20-21,24,27H,9-14H2,(H,25,26)/t20-,21+/m1/s1
InChIKeyJGONQMWRVXWVJZ-RTWAWAEBSA-N
XLogP2.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Bis(2-hydroxy-1-indanyl)-2,6-diphenylmethyl-4-hydroxy-1,7-heptandiamide
CID 5482936
tert-butyl N-[(2S,3S,5R)-5-[(4-fluorophenyl)methyl]-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate
CID 5479345
(R)-2-Biphenyl-4-ylmethyl-N*4*-hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-yl)-succinamide
CID 44265485
(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 5494863
(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 5494864
(2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 15954106
Carbinol, 18b
CID 59968725
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-[(2,4-difluorophenyl)methyl]piperazine-2-carboxamide
CID 44343617
(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide
CID 44358792
(2R,4S)-2-benzyl-5-[(3S,5R)-5-benzyl-2-oxo-3-prop-2-enylpyrrolidin-1-yl]-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 44395234
Desnicotinyl indinavir
CID 5479517
1-(S)-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2-(R)-indanol
CID 10177403

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (CID 56891188) is 3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is O=C(CCc1ccccc1F)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The InChIKey is JGONQMWRVXWVJZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-18-8-4-1-5-15(18)9-10-19(26)25-20-16-6-2-3-7-17(16)22(21(20)27)11-13-24-14-12-22/h1-8,20-21,24,27H,9-14H2,(H,25,26)/t20-,21+/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide has a molecular weight of 368.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is sourced from PubChem (CID 56891188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).