(E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide

C31H33N3O2 — CID 11375032

About (E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide

(E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide (PubChem CID 11375032) has the molecular formula C31H33N3O2 and a molecular weight of 479.62 g/mol. Its IUPAC name is (E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide
• PubChem CID: 11375032
• Molecular Formula: C31H33N3O2
• Molecular Weight: 479.62 g/mol
• Exact Mass: 479.26
• IUPAC Name: (E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide
• SMILES: CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCCN(Cc4ccccc4)C3)cc21
• InChI: InChI=1S/C31H33N3O2/c1-24(35)33-20-18-27-15-16-28(21-30(27)33)34(31(36)17-14-25-9-4-2-5-10-25)29-13-8-19-32(23-29)22-26-11-6-3-7-12-26/h2-7,9-12,14-17,21,29H,8,13,18-20,22-23H2,1H3/b17-14+
• InChIKey: XQGXCFPHZVHVIS-SAPNQHFASA-N
• XLogP: 5.31
• TPSA: 43.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.62
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide?

The IUPAC name of (E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide (CID 11375032) is (E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide.

What is the SMILES notation for (E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide?

The canonical SMILES for (E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide is CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCCN(Cc4ccccc4)C3)cc21.

What is the InChIKey of (E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide?

The InChIKey is XQGXCFPHZVHVIS-SAPNQHFASA-N. The full InChI is InChI=1S/C31H33N3O2/c1-24(35)33-20-18-27-15-16-28(21-30(27)33)34(31(36)17-14-25-9-4-2-5-10-25)29-13-8-19-32(23-29)22-26-11-6-3-7-12-26/h2-7,9-12,14-17,21,29H,8,13,18-20,22-23H2,1H3/b17-14+.

What are the key properties of (E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide?

(E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide has a molecular weight of 479.62 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-3-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 11375032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).