3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide

C59H58N10O15 — CID 167687873

IUPAC3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.NCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.NCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1
InChIInChI=1S/C16H16N2O4.2C15H15N3O4.C13H12N2O3/c1-2-14(19)17-9-3-5-13-11(7-9)12(8-22-13)10-4-6-15(20)18-16(10)21;2*16-6-14(20)17-8-1-3-12-10(5-8)11(7-22-12)9-2-4-13(19)18-15(9)21;14-7-1-3-11-9(5-7)10(6-18-11)8-2-4-12(16)15-13(8)17/h3,5,7-8,10H,2,4,6H2,1H3,(H,17,19)(H,18,20,21);2*1,3,5,7,9H,2,4,6,16H2,(H,17,20)(H,18,19,21);1,3,5-6,8H,2,4,14H2,(H,15,16,17)
InChIKeyWMEFBQNHDOGCBL-UHFFFAOYSA-N
MW1147.17 g/mol
LogP5.54
Rot. Bonds10

About 3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide

3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide (PubChem CID 167687873) has the molecular formula C59H58N10O15 and a molecular weight of 1147.17 g/mol. Its IUPAC name is 3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide.

Molecular Properties

Compound Name3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide
PubChem CID167687873
Molecular FormulaC59H58N10O15
Molecular Weight1147.17 g/mol
Exact Mass1146.41
IUPAC Name3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.NCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.NCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1
InChIInChI=1S/C16H16N2O4.2C15H15N3O4.C13H12N2O3/c1-2-14(19)17-9-3-5-13-11(7-9)12(8-22-13)10-4-6-15(20)18-16(10)21;2*16-6-14(20)17-8-1-3-12-10(5-8)11(7-22-12)9-2-4-13(19)18-15(9)21;14-7-1-3-11-9(5-7)10(6-18-11)8-2-4-12(16)15-13(8)17/h3,5,7-8,10H,2,4,6H2,1H3,(H,17,19)(H,18,20,21);2*1,3,5,7,9H,2,4,6,16H2,(H,17,20)(H,18,19,21);1,3,5-6,8H,2,4,14H2,(H,15,16,17)
InChIKeyWMEFBQNHDOGCBL-UHFFFAOYSA-N
XLogP5.54
TPSA402.60 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001147.17
LogP ≤ 55.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide?
The IUPAC name of 3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide (CID 167687873) is 3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide.
What is the SMILES notation for 3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide?
The canonical SMILES for 3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide is CCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.NCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.NCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.
What is the InChIKey of 3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide?
The InChIKey is WMEFBQNHDOGCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4.2C15H15N3O4.C13H12N2O3/c1-2-14(19)17-9-3-5-13-11(7-9)12(8-22-13)10-4-6-15(20)18-16(10)21;2*16-6-14(20)17-8-1-3-12-10(5-8)11(7-22-12)9-2-4-13(19)18-15(9)21;14-7-1-3-11-9(5-7)10(6-18-11)8-2-4-12(16)15-13(8)17/h3,5,7-8,10H,2,4,6H2,1H3,(H,17,19)(H,18,20,21);2*1,3,5,7,9H,2,4,6,16H2,(H,17,20)(H,18,19,21);1,3,5-6,8H,2,4,14H2,(H,15,16,17).
What are the key properties of 3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide?
3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide has a molecular weight of 1147.17 g/mol, XLogP of 5.54, 10 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide is sourced from PubChem (CID 167687873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).