N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide

C33H38N6O — CID 142782455

About N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide

N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide (PubChem CID 142782455) has the molecular formula C33H38N6O and a molecular weight of 534.71 g/mol. Its IUPAC name is N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide.

Molecular Properties

• Compound Name: N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide
• PubChem CID: 142782455
• Molecular Formula: C33H38N6O
• Molecular Weight: 534.71 g/mol
• Exact Mass: 534.31
• IUPAC Name: N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide
• SMILES: CN1CCC(c2c[nH]c3ccc(/N=C(/Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)c4ccco4)cc23)CC1
• InChI: InChI=1S/C33H38N6O/c1-38-13-9-22(10-14-38)28-20-34-30-7-5-24(18-26(28)30)36-33(32-4-3-17-40-32)37-25-6-8-31-27(19-25)29(21-35-31)23-11-15-39(2)16-12-23/h3-8,17-23,34-35H,9-16H2,1-2H3,(H,36,37)
• InChIKey: QKRRUCGKNAEPAE-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 75.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.71
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide?

The IUPAC name of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide (CID 142782455) is N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide.

What is the SMILES notation for N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide?

The canonical SMILES for N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide is CN1CCC(c2c[nH]c3ccc(/N=C(/Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)c4ccco4)cc23)CC1.

What is the InChIKey of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide?

The InChIKey is QKRRUCGKNAEPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N6O/c1-38-13-9-22(10-14-38)28-20-34-30-7-5-24(18-26(28)30)36-33(32-4-3-17-40-32)37-25-6-8-31-27(19-25)29(21-35-31)23-11-15-39(2)16-12-23/h3-8,17-23,34-35H,9-16H2,1-2H3,(H,36,37).

What are the key properties of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide?

N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide has a molecular weight of 534.71 g/mol, XLogP of 7.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide is sourced from PubChem (CID 142782455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).