3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one

C26H27N3O2 — CID 3419928

IUPAC3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
SMILESCC1CCCC(C)N1C(=O)Cn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21
InChIInChI=1S/C26H27N3O2/c1-17-8-7-9-18(2)29(17)25(30)16-28-15-19(20-10-4-6-13-24(20)28)14-22-21-11-3-5-12-23(21)27-26(22)31/h3-6,10-15,17-18H,7-9,16H2,1-2H3,(H,27,31)
InChIKeyYVQULGCTJAIVKM-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.92
Rot. Bonds3

About 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one

3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one (PubChem CID 3419928) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
PubChem CID3419928
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
SMILESCC1CCCC(C)N1C(=O)Cn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21
InChIInChI=1S/C26H27N3O2/c1-17-8-7-9-18(2)29(17)25(30)16-28-15-19(20-10-4-6-13-24(20)28)14-22-21-11-3-5-12-23(21)27-26(22)31/h3-6,10-15,17-18H,7-9,16H2,1-2H3,(H,27,31)
InChIKeyYVQULGCTJAIVKM-UHFFFAOYSA-N
XLogP4.92
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 143304674
(3E)-3-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374196
3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one
CID 3958106
1-ethyl-5-[[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2940005
N-[3-(1-formylpiperidin-4-yl)propyl]-2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]acetamide
CID 73159722
2-[3-[(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(4-phenylbutyl)acetamide
CID 73159721
2-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(4-phenylbutyl)acetamide
CID 143304651
2-[3-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(3-phenylpropyl)acetamide
CID 11977997
(3E)-3-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374195
3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 3276576
10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one
CID 155810643
6-chloro-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one
CID 3648769

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one?
The IUPAC name of 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one (CID 3419928) is 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one is CC1CCCC(C)N1C(=O)Cn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21.
What is the InChIKey of 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one?
The InChIKey is YVQULGCTJAIVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-17-8-7-9-18(2)29(17)25(30)16-28-15-19(20-10-4-6-13-24(20)28)14-22-21-11-3-5-12-23(21)27-26(22)31/h3-6,10-15,17-18H,7-9,16H2,1-2H3,(H,27,31).
What are the key properties of 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one?
3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one has a molecular weight of 413.52 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 3419928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).