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

C105H118N20O12 — CID 158273546

IUPACethyl 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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-yl)propoxy]indol-2-yl]phenyl]carbamate
SMILESCCOC(=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(OCCCn4ccnn4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cnnc4)cc3n2CC)cc1
InChIInChI=1S/C28H34N4O3.C27H32N4O3.2C25H26N6O3/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(34-17-7-16-30-14-5-6-15-30)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;1-3-31-23-14-20(34-13-5-12-30-16-27-28-17-30)10-11-21(23)22(15-26)24(31)18-6-8-19(9-7-18)29-25(32)33-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,33);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);6-11,14,16-17H,3-5,12-13H2,1-2H3,(H,29,32)
InChIKeyGJIIKXFGYMHPBD-UHFFFAOYSA-N
MW1852.23 g/mol
LogP21.31
Rot. Bonds36

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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-yl)propoxy]indol-2-yl]phenyl]carbamate (PubChem CID 158273546) has the molecular formula C105H118N20O12 and a molecular weight of 1852.23 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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-yl)propoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl 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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-yl)propoxy]indol-2-yl]phenyl]carbamate
PubChem CID158273546
Molecular FormulaC105H118N20O12
Molecular Weight1852.23 g/mol
Exact Mass1850.92
IUPAC Nameethyl 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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-yl)propoxy]indol-2-yl]phenyl]carbamate
SMILESCCOC(=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(OCCCn4ccnn4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cnnc4)cc3n2CC)cc1
InChIInChI=1S/C28H34N4O3.C27H32N4O3.2C25H26N6O3/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(34-17-7-16-30-14-5-6-15-30)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;1-3-31-23-14-20(34-13-5-12-30-16-27-28-17-30)10-11-21(23)22(15-26)24(31)18-6-8-19(9-7-18)29-25(32)33-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,33);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);6-11,14,16-17H,3-5,12-13H2,1-2H3,(H,29,32)
InChIKeyGJIIKXFGYMHPBD-UHFFFAOYSA-N
XLogP21.31
TPSA373.02 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001852.23
LogP ≤ 521.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-yl)propoxy]indol-2-yl]phenyl]carbamate with MolForge

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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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-yl)propoxy]indol-2-yl]phenyl]carbamate (CID 158273546) 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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-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(OCCCn4ccnn4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cnnc4)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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-yl)propoxy]indol-2-yl]phenyl]carbamate?
The InChIKey is GJIIKXFGYMHPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3.C27H32N4O3.2C25H26N6O3/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(34-17-7-16-30-14-5-6-15-30)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;1-3-31-23-14-20(34-13-5-12-30-16-27-28-17-30)10-11-21(23)22(15-26)24(31)18-6-8-19(9-7-18)29-25(32)33-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,33);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);6-11,14,16-17H,3-5,12-13H2,1-2H3,(H,29,32).
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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-yl)propoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 1852.23 g/mol, XLogP of 21.31, 36 rotatable bonds, 4 hydrogen bond donors, and 28 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-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-4-yl)propoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158273546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).