(5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone

C22H21FN2O2 — CID 95713749

IUPAC(5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone
SMILESO=C(c1c[nH]c2ccc(F)cc12)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C22H21FN2O2/c23-15-5-6-19-16(12-15)17(13-24-19)21(27)25-9-7-22(8-10-25)18-4-2-1-3-14(18)11-20(22)26/h1-6,12-13,20,24,26H,7-11H2/t20-/m0/s1
InChIKeyIBQIDLWZOOIHAO-FQEVSTJZSA-N
MW364.42 g/mol
LogP3.40
Rot. Bonds1

About (5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone

(5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone (PubChem CID 95713749) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is (5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone
PubChem CID95713749
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name(5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone
SMILESO=C(c1c[nH]c2ccc(F)cc12)N1CCC2(CC1)c1ccccc1C[C@@H]2O
InChIInChI=1S/C22H21FN2O2/c23-15-5-6-19-16(12-15)17(13-24-19)21(27)25-9-7-22(8-10-25)18-4-2-1-3-14(18)11-20(22)26/h1-6,12-13,20,24,26H,7-11H2/t20-/m0/s1
InChIKeyIBQIDLWZOOIHAO-FQEVSTJZSA-N
XLogP3.40
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
(4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 56891399
(5-chloro-1H-indol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 113205820
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 95723009
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
1-(5-fluoro-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 44595830
(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one
CID 56889620
(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 95726170
1-(5-fluoro-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 113208063

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone?
The IUPAC name of (5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone (CID 95713749) is (5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone is O=C(c1c[nH]c2ccc(F)cc12)N1CCC2(CC1)c1ccccc1C[C@@H]2O.
What is the InChIKey of (5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone?
The InChIKey is IBQIDLWZOOIHAO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-15-5-6-19-16(12-15)17(13-24-19)21(27)25-9-7-22(8-10-25)18-4-2-1-3-14(18)11-20(22)26/h1-6,12-13,20,24,26H,7-11H2/t20-/m0/s1.
What are the key properties of (5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone?
(5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone has a molecular weight of 364.42 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-3-yl)-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 95713749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).