(3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one

C23H23FN2O4 — CID 127049910

IUPAC(3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H23FN2O4/c1-29-21-12-15(11-18-17-13-16(24)6-7-19(17)25-23(18)28)5-8-20(21)30-14-22(27)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,25,28)/b18-11-
InChIKeyACVCUPRABZBKOV-WQRHYEAKSA-N
MW410.45 g/mol
LogP3.72
Rot. Bonds5

About (3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one

(3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one (PubChem CID 127049910) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is (3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one
PubChem CID127049910
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name(3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H23FN2O4/c1-29-21-12-15(11-18-17-13-16(24)6-7-19(17)25-23(18)28)5-8-20(21)30-14-22(27)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,25,28)/b18-11-
InChIKeyACVCUPRABZBKOV-WQRHYEAKSA-N
XLogP3.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one with MolForge

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Related Compounds

(3,4-Diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 776356
N-(2-ethoxyphenyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4791241
1-(3-fluoro-4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10003368
1-(3-Fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10003477
1-(3-Fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10409431
1-(3-fluorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10454231
1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10477339
2-Fluoro-N-[4-(2-morpholin-4-yl-2-oxo-ethoxy)-phenyl]-benzamide
CID 1130029
N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2558401
2-(3,4-dimethoxyphenyl)-N-[2-(4-morpholinylcarbonyl)phenyl]acetamide
CID 991553
2-(2-methoxyphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1076437
2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 1339945

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one (CID 127049910) is (3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one is COc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of (3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is ACVCUPRABZBKOV-WQRHYEAKSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-29-21-12-15(11-18-17-13-16(24)6-7-19(17)25-23(18)28)5-8-20(21)30-14-22(27)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,25,28)/b18-11-.
What are the key properties of (3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
(3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 410.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 127049910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).