(E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+)

C29H30N3ORb — CID 59641766

About (E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+)

(E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+) (PubChem CID 59641766) has the molecular formula C29H30N3ORb and a molecular weight of 522.05 g/mol. Its IUPAC name is (E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+).

Molecular Properties

• Compound Name: (E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+)
• PubChem CID: 59641766
• Molecular Formula: C29H30N3ORb
• Molecular Weight: 522.05 g/mol
• Exact Mass: 521.15
• IUPAC Name: (E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+)
• SMILES: O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)[N-]CC2)C1CCN(Cc2ccccc2)CC1.[Rb+]
• InChI: InChI=1S/C29H30N3O.Rb/c33-29(14-11-23-7-3-1-4-8-23)32(27-13-12-25-15-18-30-28(25)21-27)26-16-19-31(20-17-26)22-24-9-5-2-6-10-24;/h1-14,21,26H,15-20,22H2;/q-1;+1/b14-11+
• InChIKey: KKYCAWCIUCJHDA-JHGYPSGKSA-N
• XLogP: 2.96
• TPSA: 37.65 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.05
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+)?

The IUPAC name of (E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+) (CID 59641766) is (E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+).

What is the SMILES notation for (E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+)?

The canonical SMILES for (E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+) is O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)[N-]CC2)C1CCN(Cc2ccccc2)CC1.[Rb+].

What is the InChIKey of (E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+)?

The InChIKey is KKYCAWCIUCJHDA-JHGYPSGKSA-N. The full InChI is InChI=1S/C29H30N3O.Rb/c33-29(14-11-23-7-3-1-4-8-23)32(27-13-12-25-15-18-30-28(25)21-27)26-16-19-31(20-17-26)22-24-9-5-2-6-10-24;/h1-14,21,26H,15-20,22H2;/q-1;+1/b14-11+;.

What are the key properties of (E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+)?

(E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+) has a molecular weight of 522.05 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(1-benzylpiperidin-4-yl)-N-(2,3-dihydroindol-1-id-6-yl)-3-phenylprop-2-enamide;rubidium(1+) is sourced from PubChem (CID 59641766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).