(4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone

C21H22FNO3 — CID 56891399

IUPAC(4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
SMILESCOc1cc(C(=O)N2CCC3(CC2)c2ccccc2CC3O)ccc1F
InChIInChI=1S/C21H22FNO3/c1-26-18-12-15(6-7-17(18)22)20(25)23-10-8-21(9-11-23)16-5-3-2-4-14(16)13-19(21)24/h2-7,12,19,24H,8-11,13H2,1H3
InChIKeyYOQDAPOLJDJBPC-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.93
Rot. Bonds2

About (4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone

(4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone (PubChem CID 56891399) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
PubChem CID56891399
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name(4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
SMILESCOc1cc(C(=O)N2CCC3(CC2)c2ccccc2CC3O)ccc1F
InChIInChI=1S/C21H22FNO3/c1-26-18-12-15(6-7-17(18)22)20(25)23-10-8-21(9-11-23)16-5-3-2-4-14(16)13-19(21)24/h2-7,12,19,24H,8-11,13H2,1H3
InChIKeyYOQDAPOLJDJBPC-UHFFFAOYSA-N
XLogP2.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 95726170
(4-fluoro-3-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002014
6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 72920747
(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone
CID 74246609
(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 56884985
[(3R)-3-aminopyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 113282283
[4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 81283284
(3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 114510033
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 82689439
1-(4-fluoro-3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81283944
1'-(4-fluoro-3-methoxybenzoyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164691202
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 95723009

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone (CID 56891399) is (4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone is COc1cc(C(=O)N2CCC3(CC2)c2ccccc2CC3O)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is YOQDAPOLJDJBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-26-18-12-15(6-7-17(18)22)20(25)23-10-8-21(9-11-23)16-5-3-2-4-14(16)13-19(21)24/h2-7,12,19,24H,8-11,13H2,1H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone?
(4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 355.41 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 56891399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).