(3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one

C24H29N3O — CID 147391764

IUPAC(3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one
SMILESCc1cccc2c1/C(=C\CNc1ccc(CCN3CCCCC3)cc1)C(=O)N2
InChIInChI=1S/C24H29N3O/c1-18-6-5-7-22-23(18)21(24(28)26-22)12-14-25-20-10-8-19(9-11-20)13-17-27-15-3-2-4-16-27/h5-12,25H,2-4,13-17H2,1H3,(H,26,28)/b21-12+
InChIKeyDMZUJHPQQYYXGF-CIAFOILYSA-N
MW375.52 g/mol
LogP4.47
Rot. Bonds6

About (3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one

(3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one (PubChem CID 147391764) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is (3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one
PubChem CID147391764
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name(3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one
SMILESCc1cccc2c1/C(=C\CNc1ccc(CCN3CCCCC3)cc1)C(=O)N2
InChIInChI=1S/C24H29N3O/c1-18-6-5-7-22-23(18)21(24(28)26-22)12-14-25-20-10-8-19(9-11-20)13-17-27-15-3-2-4-16-27/h5-12,25H,2-4,13-17H2,1H3,(H,26,28)/b21-12+
InChIKeyDMZUJHPQQYYXGF-CIAFOILYSA-N
XLogP4.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one?
The IUPAC name of (3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one (CID 147391764) is (3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one is Cc1cccc2c1/C(=C\CNc1ccc(CCN3CCCCC3)cc1)C(=O)N2.
What is the InChIKey of (3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one?
The InChIKey is DMZUJHPQQYYXGF-CIAFOILYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18-6-5-7-22-23(18)21(24(28)26-22)12-14-25-20-10-8-19(9-11-20)13-17-27-15-3-2-4-16-27/h5-12,25H,2-4,13-17H2,1H3,(H,26,28)/b21-12+.
What are the key properties of (3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one?
(3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one has a molecular weight of 375.52 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methyl-3-[2-[4-(2-piperidin-1-ylethyl)anilino]ethylidene]-1H-indol-2-one is sourced from PubChem (CID 147391764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).