3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate

C51H64N8O10 — CID 159936581

About 3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate

3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate (PubChem CID 159936581) has the molecular formula C51H64N8O10 and a molecular weight of 949.12 g/mol. Its IUPAC name is 3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: 3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate
• PubChem CID: 159936581
• Molecular Formula: C51H64N8O10
• Molecular Weight: 949.12 g/mol
• Exact Mass: 948.47
• IUPAC Name: 3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCOCCOCCCc1ccnc2c1c1ccccc1n2C1CCC(=O)NC1=O.NCCOCCOCCCc1ccnc2c1c1ccccc1n2C1CCC(=O)NC1=O
• InChI: InChI=1S/C28H36N4O6.C23H28N4O4/c1-28(2,3)38-27(35)30-14-16-37-18-17-36-15-6-7-19-12-13-29-25-24(19)20-8-4-5-9-21(20)32(25)22-10-11-23(33)31-26(22)34;24-10-13-31-15-14-30-12-3-4-16-9-11-25-22-21(16)17-5-1-2-6-18(17)27(22)19-7-8-20(28)26-23(19)29/h4-5,8-9,12-13,22H,6-7,10-11,14-18H2,1-3H3,(H,30,35)(H,31,33,34);1-2,5-6,9,11,19H,3-4,7-8,10,12-15,24H2,(H,26,28,29)
• InChIKey: OAIDPFWLEYAATO-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 229.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.12
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate?

The IUPAC name of 3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate (CID 159936581) is 3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for 3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for 3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCCc1ccnc2c1c1ccccc1n2C1CCC(=O)NC1=O.NCCOCCOCCCc1ccnc2c1c1ccccc1n2C1CCC(=O)NC1=O.

What is the InChIKey of 3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate?

The InChIKey is OAIDPFWLEYAATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O6.C23H28N4O4/c1-28(2,3)38-27(35)30-14-16-37-18-17-36-15-6-7-19-12-13-29-25-24(19)20-8-4-5-9-21(20)32(25)22-10-11-23(33)31-26(22)34;24-10-13-31-15-14-30-12-3-4-16-9-11-25-22-21(16)17-5-1-2-6-18(17)27(22)19-7-8-20(28)26-23(19)29/h4-5,8-9,12-13,22H,6-7,10-11,14-18H2,1-3H3,(H,30,35)(H,31,33,34);1-2,5-6,9,11,19H,3-4,7-8,10,12-15,24H2,(H,26,28,29).

What are the key properties of 3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate?

3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate has a molecular weight of 949.12 g/mol, XLogP of 5.75, 21 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-[2-(2-aminoethoxy)ethoxy]propyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione;tert-butyl N-[2-[2-[3-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-4-yl]propoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 159936581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).