6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one

C23H26FN3O2 — CID 90873924

IUPAC6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1/C=N/c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C23H26FN3O2/c24-17-5-10-20-21(23(28)26-22(20)15-17)16-25-18-6-8-19(9-7-18)29-14-4-13-27-11-2-1-3-12-27/h5-10,15-16,21H,1-4,11-14H2,(H,26,28)/b25-16+
InChIKeyGJZGADQCRMFOCS-PCLIKHOPSA-N
MW395.48 g/mol
LogP4.52
Rot. Bonds7

About 6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one

6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 90873924) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID90873924
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1/C=N/c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C23H26FN3O2/c24-17-5-10-20-21(23(28)26-22(20)15-17)16-25-18-6-8-19(9-7-18)29-14-4-13-27-11-2-1-3-12-27/h5-10,15-16,21H,1-4,11-14H2,(H,26,28)/b25-16+
InChIKeyGJZGADQCRMFOCS-PCLIKHOPSA-N
XLogP4.52
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-[[4-(4-piperidin-1-ylbutoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90702965
4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91542363
6-fluoro-3-[[4-[3-(2-methylpiperidin-1-yl)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90949850
6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one
CID 43203891
6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91423097
2,5-dimethyl-N-[3-[2-oxo-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 90838450
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91195491
5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91149648
3-[[5-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1H-pyrazol-3-yl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 90800827
3-[[4-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]phenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91243972
6-fluoro-3-[[3-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91469809

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 90873924) is 6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2C1/C=N/c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is GJZGADQCRMFOCS-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-17-5-10-20-21(23(28)26-22(20)15-17)16-25-18-6-8-19(9-7-18)29-14-4-13-27-11-2-1-3-12-27/h5-10,15-16,21H,1-4,11-14H2,(H,26,28)/b25-16+.
What are the key properties of 6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 395.48 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90873924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).