5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one

C20H20FN3O — CID 91061245

IUPAC5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1=CN(c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H20FN3O/c21-15-9-10-19-17(13-15)18(20(25)22-19)14-24(16-7-3-1-4-8-16)23-11-5-2-6-12-23/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,22,25)
InChIKeyIKFGJRQLCVJFEI-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.03
Rot. Bonds3

About 5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one

5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one (PubChem CID 91061245) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one
PubChem CID91061245
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1=CN(c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H20FN3O/c21-15-9-10-19-17(13-15)18(20(25)22-19)14-24(16-7-3-1-4-8-16)23-11-5-2-6-12-23/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,22,25)
InChIKeyIKFGJRQLCVJFEI-UHFFFAOYSA-N
XLogP4.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(N-thiomorpholin-4-ylanilino)methylidene]-1H-indol-2-one
CID 91162252
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
3-(dimethylaminomethylidene)-5-fluoro-1H-indol-2-one
CID 70497193
(3E)-5-fluoro-3-[(3-methylpiperidin-1-yl)methylidene]-1H-indol-2-one
CID 113196070
(3Z)-3-[(1,3-dibromoazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 59301613
(3Z)-3-[(1,3-dimethylazulen-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 68581049
(3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one
CID 113196655
(3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one
CID 87504644
(3E)-5-fluoro-3-[(1-fluoroazulen-2-yl)methylidene]-1H-indol-2-one
CID 59301657
4-fluoro-3-[(N-(3-fluoropyrrolidin-1-yl)anilino)methylidene]-1H-indol-2-one
CID 91567295
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 71511474
CID 73212798
CID 73212798

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one?
The IUPAC name of 5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one (CID 91061245) is 5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one is O=C1Nc2ccc(F)cc2C1=CN(c1ccccc1)N1CCCCC1.
What is the InChIKey of 5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one?
The InChIKey is IKFGJRQLCVJFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-15-9-10-19-17(13-15)18(20(25)22-19)14-24(16-7-3-1-4-8-16)23-11-5-2-6-12-23/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,22,25).
What are the key properties of 5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one?
5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one has a molecular weight of 337.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(N-piperidin-1-ylanilino)methylidene]-1H-indol-2-one is sourced from PubChem (CID 91061245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).