3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C33H29N3O4 — CID 69267616

IUPAC3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cc(OC4CCN(Cc5ccccc5)CC4)cc4ccoc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C33H29N3O4/c1-35-20-27(25-9-5-6-10-28(25)35)30-29(32(37)34-33(30)38)26-18-24(17-22-13-16-39-31(22)26)40-23-11-14-36(15-12-23)19-21-7-3-2-4-8-21/h2-10,13,16-18,20,23H,11-12,14-15,19H2,1H3,(H,34,37,38)
InChIKeyJDGBFGWHDQSJEI-UHFFFAOYSA-N
MW531.61 g/mol
LogP5.54
Rot. Bonds6

About 3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 69267616) has the molecular formula C33H29N3O4 and a molecular weight of 531.61 g/mol. Its IUPAC name is 3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID69267616
Molecular FormulaC33H29N3O4
Molecular Weight531.61 g/mol
Exact Mass531.22
IUPAC Name3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cc(OC4CCN(Cc5ccccc5)CC4)cc4ccoc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C33H29N3O4/c1-35-20-27(25-9-5-6-10-28(25)35)30-29(32(37)34-33(30)38)26-18-24(17-22-13-16-39-31(22)26)40-23-11-14-36(15-12-23)19-21-7-3-2-4-8-21/h2-10,13,16-18,20,23H,11-12,14-15,19H2,1H3,(H,34,37,38)
InChIKeyJDGBFGWHDQSJEI-UHFFFAOYSA-N
XLogP5.54
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.61
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione 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-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 69267616) is 3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cc(OC4CCN(Cc5ccccc5)CC4)cc4ccoc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is JDGBFGWHDQSJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O4/c1-35-20-27(25-9-5-6-10-28(25)35)30-29(32(37)34-33(30)38)26-18-24(17-22-13-16-39-31(22)26)40-23-11-14-36(15-12-23)19-21-7-3-2-4-8-21/h2-10,13,16-18,20,23H,11-12,14-15,19H2,1H3,(H,34,37,38).
What are the key properties of 3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 531.61 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-benzylpiperidin-4-yl)oxy-1-benzofuran-7-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 69267616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).