N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide

C33H35N3O2 — CID 72798995

About N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide

N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide (PubChem CID 72798995) has the molecular formula C33H35N3O2 and a molecular weight of 505.66 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide.

Molecular Properties

• Compound Name: N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide
• PubChem CID: 72798995
• Molecular Formula: C33H35N3O2
• Molecular Weight: 505.66 g/mol
• Exact Mass: 505.27
• IUPAC Name: N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide
• SMILES: CC(=O)N1CCc2ccc(N(C(=O)C=CC=Cc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
• InChI: InChI=1S/C33H35N3O2/c1-26(37)35-23-18-29-16-17-31(24-32(29)35)36(33(38)15-9-8-12-27-10-4-2-5-11-27)30-19-21-34(22-20-30)25-28-13-6-3-7-14-28/h2-17,24,30H,18-23,25H2,1H3
• InChIKey: JPRXROIKMOJKFY-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 43.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.66
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide?

The IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide (CID 72798995) is N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide.

What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide?

The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide is CC(=O)N1CCc2ccc(N(C(=O)C=CC=Cc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21.

What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide?

The InChIKey is JPRXROIKMOJKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O2/c1-26(37)35-23-18-29-16-17-31(24-32(29)35)36(33(38)15-9-8-12-27-10-4-2-5-11-27)30-19-21-34(22-20-30)25-28-13-6-3-7-14-28/h2-17,24,30H,18-23,25H2,1H3.

What are the key properties of N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide?

N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide has a molecular weight of 505.66 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-acetyl-2,3-dihydroindol-6-yl)-N-(1-benzylpiperidin-4-yl)-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 72798995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).