5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one

C21H23F2N3O3 — CID 67248901

IUPAC5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(OCC(O)CN3CCN(c4ccc(F)cc4F)CC3)ccc2N1
InChIInChI=1S/C21H23F2N3O3/c22-15-1-4-20(18(23)11-15)26-7-5-25(6-8-26)12-16(27)13-29-17-2-3-19-14(9-17)10-21(28)24-19/h1-4,9,11,16,27H,5-8,10,12-13H2,(H,24,28)
InChIKeyHYDRHLQVBMPFEZ-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.02
Rot. Bonds6

About 5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one

5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one (PubChem CID 67248901) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one
PubChem CID67248901
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(OCC(O)CN3CCN(c4ccc(F)cc4F)CC3)ccc2N1
InChIInChI=1S/C21H23F2N3O3/c22-15-1-4-20(18(23)11-15)26-7-5-25(6-8-26)12-16(27)13-29-17-2-3-19-14(9-17)10-21(28)24-19/h1-4,9,11,16,27H,5-8,10,12-13H2,(H,24,28)
InChIKeyHYDRHLQVBMPFEZ-UHFFFAOYSA-N
XLogP2.02
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one
CID 67249267
6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 67250952
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol
CID 3865477
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol;dihydrochloride
CID 2920048
6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 67250978
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
(2R)-1-(6-bromonaphthalen-2-yl)oxy-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1289089
1-(4-ethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770619
(2S)-1-(4-bromophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 34066082
1-(4-chloro-3-methylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770617
1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46615685
1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one
CID 71605093

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one (CID 67248901) is 5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one is O=C1Cc2cc(OCC(O)CN3CCN(c4ccc(F)cc4F)CC3)ccc2N1.
What is the InChIKey of 5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one?
The InChIKey is HYDRHLQVBMPFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c22-15-1-4-20(18(23)11-15)26-7-5-25(6-8-26)12-16(27)13-29-17-2-3-19-14(9-17)10-21(28)24-19/h1-4,9,11,16,27H,5-8,10,12-13H2,(H,24,28).
What are the key properties of 5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one?
5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one has a molecular weight of 403.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 67248901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).