(5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone

C29H32FN3O2 — CID 58692272

IUPAC(5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4cc(F)ccc43)c2)CC1
InChIInChI=1S/C29H32FN3O2/c1-21(2)35-28-9-4-3-8-27(28)32-16-14-31(15-17-32)20-22-6-5-7-24(18-22)29(34)33-13-12-23-19-25(30)10-11-26(23)33/h3-11,18-19,21H,12-17,20H2,1-2H3
InChIKeySOIUCSFMOSFNHK-UHFFFAOYSA-N
MW473.59 g/mol
LogP5.14
Rot. Bonds6

About (5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone

(5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone (PubChem CID 58692272) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
PubChem CID58692272
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC Name(5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4cc(F)ccc43)c2)CC1
InChIInChI=1S/C29H32FN3O2/c1-21(2)35-28-9-4-3-8-27(28)32-16-14-31(15-17-32)20-22-6-5-7-24(18-22)29(34)33-13-12-23-19-25(30)10-11-26(23)33/h3-11,18-19,21H,12-17,20H2,1-2H3
InChIKeySOIUCSFMOSFNHK-UHFFFAOYSA-N
XLogP5.14
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-5-yl]sulfamoyl]phenyl]acetamide
CID 143281086
[5-(1,3-benzodioxol-5-ylmethylamino)-2,3-dihydroindol-1-yl]-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
CID 58692253
2,6-dimethoxy-N-[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-6-yl]benzamide
CID 91207748
but-2-enedioic acid;1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one
CID 70152371
1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
CID 10622766
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
2,6-difluoro-N-[1-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzoyl]-2,3-dihydroindol-6-yl]benzenesulfonamide
CID 11995781
but-2-enedioic acid;1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
CID 160762853
N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 42850796
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone
CID 11996345
2,3-dihydroindol-1-yl-[3-[[4-[(3Z)-4-ethoxyhexa-1,3,5-trien-3-yl]piperazin-1-yl]methyl]phenyl]methanone
CID 143281099

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone?
The IUPAC name of (5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone (CID 58692272) is (5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for (5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone?
The canonical SMILES for (5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone is CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCc4cc(F)ccc43)c2)CC1.
What is the InChIKey of (5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone?
The InChIKey is SOIUCSFMOSFNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O2/c1-21(2)35-28-9-4-3-8-27(28)32-16-14-31(15-17-32)20-22-6-5-7-24(18-22)29(34)33-13-12-23-19-25(30)10-11-26(23)33/h3-11,18-19,21H,12-17,20H2,1-2H3.
What are the key properties of (5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone?
(5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone has a molecular weight of 473.59 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 58692272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).