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

C107H124N18O12S — CID 157165228

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

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-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate (PubChem CID 157165228) has the molecular formula C107H124N18O12S and a molecular weight of 1886.35 g/mol. Its IUPAC name is 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-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]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;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
• PubChem CID: 157165228
• Molecular Formula: C107H124N18O12S
• Molecular Weight: 1886.35 g/mol
• Exact Mass: 1884.94
• IUPAC Name: 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-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
• SMILES: CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCCCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCSCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4ccnn4)cc3n2CC)cc1
• InChI: InChI=1S/C28H34N4O3.C27H32N4O3S.C27H32N4O3.C25H26N6O3/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;1-3-31-25-18-22(34-15-5-12-30-13-16-35-17-14-30)10-11-23(25)24(19-28)26(31)20-6-8-21(9-7-20)29-27(32)33-4-2;1-3-31-25-18-22(34-17-7-16-30-14-5-6-15-30)12-13-23(25)24(19-28)26(31)20-8-10-21(11-9-20)29-27(32)33-4-2;1-3-31-23-16-20(34-15-5-13-30-14-12-27-29-30)10-11-21(23)22(17-26)24(31)18-6-8-19(9-7-18)28-25(32)33-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,33);6-11,18H,3-5,12-17H2,1-2H3,(H,29,32);8-13,18H,3-7,14-17H2,1-2H3,(H,29,32);6-12,14,16H,3-5,13,15H2,1-2H3,(H,28,32)
• InChIKey: AMVGSNBMVBOAJX-UHFFFAOYSA-N
• XLogP: 22.07
• TPSA: 345.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.35
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]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;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate (CID 157165228) is 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-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]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;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]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;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate is CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCCCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCSCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4ccnn4)cc3n2CC)cc1.

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

The InChIKey is AMVGSNBMVBOAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3.C27H32N4O3S.C27H32N4O3.C25H26N6O3/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;1-3-31-25-18-22(34-15-5-12-30-13-16-35-17-14-30)10-11-23(25)24(19-28)26(31)20-6-8-21(9-7-20)29-27(32)33-4-2;1-3-31-25-18-22(34-17-7-16-30-14-5-6-15-30)12-13-23(25)24(19-28)26(31)20-8-10-21(11-9-20)29-27(32)33-4-2;1-3-31-23-16-20(34-15-5-13-30-14-12-27-29-30)10-11-21(23)22(17-26)24(31)18-6-8-19(9-7-18)28-25(32)33-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,33);6-11,18H,3-5,12-17H2,1-2H3,(H,29,32);8-13,18H,3-7,14-17H2,1-2H3,(H,29,32);6-12,14,16H,3-5,13,15H2,1-2H3,(H,28,32).

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

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-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 1886.35 g/mol, XLogP of 22.07, 36 rotatable bonds, 4 hydrogen bond donors, and 27 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;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157165228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).