6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one

C23H19ClN2O3 — CID 51133842

IUPAC6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one
SMILESCc1c(C(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)oc2ccccc12
InChIInChI=1S/C23H19ClN2O3/c1-13-16-4-2-3-5-19(16)29-21(13)23(28)26-10-8-14(9-11-26)20-17-7-6-15(24)12-18(17)25-22(20)27/h2-7,12H,8-11H2,1H3,(H,25,27)
InChIKeyMAFZBVRNMRLJHF-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.04
Rot. Bonds1

About 6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one

6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one (PubChem CID 51133842) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one
PubChem CID51133842
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one
SMILESCc1c(C(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)oc2ccccc12
InChIInChI=1S/C23H19ClN2O3/c1-13-16-4-2-3-5-19(16)29-21(13)23(28)26-10-8-14(9-11-26)20-17-7-6-15(24)12-18(17)25-22(20)27/h2-7,12H,8-11H2,1H3,(H,25,27)
InChIKeyMAFZBVRNMRLJHF-UHFFFAOYSA-N
XLogP5.04
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one with MolForge

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Related Compounds

(4E)-4-(6-chloro-2-oxo-1H-indol-3-ylidene)azepane-1-carboxylic acid
CID 69259423
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 17482867
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 9092800
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 108811391
(4-hydroxy-4-methylazepan-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 107406469
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 27757613
6-chloro-3-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-ylidene]-1H-indol-2-one
CID 51134045
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 120817018
(4-benzyl-1,4-diazepan-1-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 18157497
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55860229

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one (CID 51133842) is 6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one is Cc1c(C(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)oc2ccccc12.
What is the InChIKey of 6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one?
The InChIKey is MAFZBVRNMRLJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-13-16-4-2-3-5-19(16)29-21(13)23(28)26-10-8-14(9-11-26)20-17-7-6-15(24)12-18(17)25-22(20)27/h2-7,12H,8-11H2,1H3,(H,25,27).
What are the key properties of 6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one?
6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one has a molecular weight of 406.87 g/mol, XLogP of 5.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-ylidene]-1H-indol-2-one is sourced from PubChem (CID 51133842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).