(3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one

C24H25N3O — CID 11978343

IUPAC(3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one
SMILESCn1cc(/C=C2/C(=O)N(CN3CCCCC3)c3ccccc32)c2ccccc21
InChIInChI=1S/C24H25N3O/c1-25-16-18(19-9-3-5-11-22(19)25)15-21-20-10-4-6-12-23(20)27(24(21)28)17-26-13-7-2-8-14-26/h3-6,9-12,15-16H,2,7-8,13-14,17H2,1H3/b21-15+
InChIKeyAWADGRMGLPLNQX-RCCKNPSSSA-N
MW371.48 g/mol
LogP4.51
Rot. Bonds3

About (3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one

(3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one (PubChem CID 11978343) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is (3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one
PubChem CID11978343
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name(3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one
SMILESCn1cc(/C=C2/C(=O)N(CN3CCCCC3)c3ccccc32)c2ccccc21
InChIInChI=1S/C24H25N3O/c1-25-16-18(19-9-3-5-11-22(19)25)15-21-20-10-4-6-12-23(20)27(24(21)28)17-26-13-7-2-8-14-26/h3-6,9-12,15-16H,2,7-8,13-14,17H2,1H3/b21-15+
InChIKeyAWADGRMGLPLNQX-RCCKNPSSSA-N
XLogP4.51
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one?
The IUPAC name of (3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one (CID 11978343) is (3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one.
What is the SMILES notation for (3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one?
The canonical SMILES for (3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one is Cn1cc(/C=C2/C(=O)N(CN3CCCCC3)c3ccccc32)c2ccccc21.
What is the InChIKey of (3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one?
The InChIKey is AWADGRMGLPLNQX-RCCKNPSSSA-N. The full InChI is InChI=1S/C24H25N3O/c1-25-16-18(19-9-3-5-11-22(19)25)15-21-20-10-4-6-12-23(20)27(24(21)28)17-26-13-7-2-8-14-26/h3-6,9-12,15-16H,2,7-8,13-14,17H2,1H3/b21-15+.
What are the key properties of (3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one?
(3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one has a molecular weight of 371.48 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(1-methylindol-3-yl)methylidene]-1-(piperidin-1-ylmethyl)indol-2-one is sourced from PubChem (CID 11978343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).