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

C55H66N8O6S — CID 157212768

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

ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate (PubChem CID 157212768) has the molecular formula C55H66N8O6S and a molecular weight of 967.25 g/mol. Its IUPAC name is ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 157212768
• Molecular Formula: C55H66N8O6S
• Molecular Weight: 967.25 g/mol
• Exact Mass: 966.48
• IUPAC Name: ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
• SMILES: CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCCCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCSCC4)cc3n2CC)c1
• InChI: InChI=1S/C28H34N4O3.C27H32N4O3S/c1-3-32-26-19-23(35-17-9-16-31-14-6-5-7-15-31)12-13-24(26)25(20-29)27(32)21-10-8-11-22(18-21)30-28(33)34-4-2;1-3-31-25-18-22(34-14-6-11-30-12-15-35-16-13-30)9-10-23(25)24(19-28)26(31)20-7-5-8-21(17-20)29-27(32)33-4-2/h8,10-13,18-19H,3-7,9,14-17H2,1-2H3,(H,30,33);5,7-10,17-18H,3-4,6,11-16H2,1-2H3,(H,29,32)
• InChIKey: ASBOSFQUOOJVGE-UHFFFAOYSA-N
• XLogP: 11.61
• TPSA: 159.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.25
LogP ≤ 5	11.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate (CID 157212768) is ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate.

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

The canonical SMILES for ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCCCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCSCC4)cc3n2CC)c1.

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

The InChIKey is ASBOSFQUOOJVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3.C27H32N4O3S/c1-3-32-26-19-23(35-17-9-16-31-14-6-5-7-15-31)12-13-24(26)25(20-29)27(32)21-10-8-11-22(18-21)30-28(33)34-4-2;1-3-31-25-18-22(34-14-6-11-30-12-15-35-16-13-30)9-10-23(25)24(19-28)26(31)20-7-5-8-21(17-20)29-27(32)33-4-2/h8,10-13,18-19H,3-7,9,14-17H2,1-2H3,(H,30,33);5,7-10,17-18H,3-4,6,11-16H2,1-2H3,(H,29,32).

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

ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 967.25 g/mol, XLogP of 11.61, 18 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157212768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).