4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride

C26H32ClFN2O3 — CID 141172305

IUPAC4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
SMILESCl.O=C1N([C@@H](c2ccccc2)[C@H](O)CN2CCOCC2)c2cccc(F)c2C12CCCCC2
InChIInChI=1S/C26H31FN2O3.ClH/c27-20-10-7-11-21-23(20)26(12-5-2-6-13-26)25(31)29(21)24(19-8-3-1-4-9-19)22(30)18-28-14-16-32-17-15-28;/h1,3-4,7-11,22,24,30H,2,5-6,12-18H2;1H/t22-,24+;/m1./s1
InChIKeyQAMNTOMWJGQPMZ-UTSIGBCTSA-N
MW475.00 g/mol
LogP4.23
Rot. Bonds5

About 4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride

4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride (PubChem CID 141172305) has the molecular formula C26H32ClFN2O3 and a molecular weight of 475.00 g/mol. Its IUPAC name is 4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride.

Molecular Properties

Compound Name4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
PubChem CID141172305
Molecular FormulaC26H32ClFN2O3
Molecular Weight475.00 g/mol
Exact Mass474.21
IUPAC Name4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
SMILESCl.O=C1N([C@@H](c2ccccc2)[C@H](O)CN2CCOCC2)c2cccc(F)c2C12CCCCC2
InChIInChI=1S/C26H31FN2O3.ClH/c27-20-10-7-11-21-23(20)26(12-5-2-6-13-26)25(31)29(21)24(19-8-3-1-4-9-19)22(30)18-28-14-16-32-17-15-28;/h1,3-4,7-11,22,24,30H,2,5-6,12-18H2;1H/t22-,24+;/m1./s1
InChIKeyQAMNTOMWJGQPMZ-UTSIGBCTSA-N
XLogP4.23
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.00
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-Hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-3,3-diphenylpyrrolidin-2-one;dihydrochloride
CID 44244741
1-[2-Hydroxy-3-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,3-diphenylpyrrolidin-2-one;dihydrochloride
CID 44244568
1-[3-[4-(4-Fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-3,3-diphenylpyrrolidin-2-one;dihydrochloride
CID 44244743
1-[2-Hydroxy-3-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,3-diphenylpyrrolidin-2-one
CID 44244569
1-[2-Hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-3,3-diphenylpyrrolidin-2-one
CID 44244742
7-fluoro-1-[(1S,2S)-1-(3-fluorophenyl)-2,3-dihydroxypropyl]-3,3-dimethylindolin-2-one
CID 59745232
1'-[(4-fluorophenyl)(hydroxy)acetyl]-1-methylspiro[indole-3,4'-piperidin]-2(1H)-one
CID 56908000
(2-fluorophenyl)-[1'-(2-hydroxypropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 11451481
5'-Fluoro-1'-[2-hydroxy-3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one
CID 16223430
6'-Fluoro-1'-[1-(3-fluorophenyl)-2-hydroxy-3-(methylamino)propyl]spiro[cyclohexane-1,3'-indole]-2'-one
CID 16223432
1-[1-(3,5-Difluorophenyl)-2-hydroxy-3-(methylamino)propyl]-7-fluoro-3,3-dimethylindol-2-one
CID 16224229
5,7-Difluoro-1-[1-(3-fluorophenyl)-2-hydroxy-3-(methylamino)propyl]-3,3-dimethylindol-2-one
CID 16224230

Frequently Asked Questions

What is the IUPAC name of 4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride?
The IUPAC name of 4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride (CID 141172305) is 4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride.
What is the SMILES notation for 4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride?
The canonical SMILES for 4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride is Cl.O=C1N([C@@H](c2ccccc2)[C@H](O)CN2CCOCC2)c2cccc(F)c2C12CCCCC2.
What is the InChIKey of 4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride?
The InChIKey is QAMNTOMWJGQPMZ-UTSIGBCTSA-N. The full InChI is InChI=1S/C26H31FN2O3.ClH/c27-20-10-7-11-21-23(20)26(12-5-2-6-13-26)25(31)29(21)24(19-8-3-1-4-9-19)22(30)18-28-14-16-32-17-15-28;/h1,3-4,7-11,22,24,30H,2,5-6,12-18H2;1H/t22-,24+;/m1./s1.
What are the key properties of 4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride?
4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride has a molecular weight of 475.00 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-fluoro-1'-[(1S,2R)-2-hydroxy-3-morpholin-4-yl-1-phenylpropyl]spiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride is sourced from PubChem (CID 141172305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).