ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate

C28H34N4O3 — CID 58694260

About ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate

ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate (PubChem CID 58694260) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 58694260
• Molecular Formula: C28H34N4O3
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.26
• IUPAC Name: ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
• SMILES: CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCCCC4)cc3n2CC)cc1
• InChI: InChI=1S/C28H34N4O3/c1-3-32-26-19-23(35-18-8-17-31-15-6-5-7-16-31)13-14-24(26)25(20-29)27(32)21-9-11-22(12-10-21)30-28(33)34-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,33)
• InChIKey: ZVDWFSJNNUJRQW-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 79.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate?

The IUPAC name of ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate (CID 58694260) is ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate?

The canonical SMILES for ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate is CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCCCC4)cc3n2CC)cc1.

What is the InChIKey of ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate?

The InChIKey is ZVDWFSJNNUJRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-3-32-26-19-23(35-18-8-17-31-15-6-5-7-16-31)13-14-24(26)25(20-29)27(32)21-9-11-22(12-10-21)30-28(33)34-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,33).

What are the key properties of ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate?

ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 474.61 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 58694260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).