1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione

C33H36N4O4 — CID 54583797

IUPAC1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1cn(CCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C33H36N4O4/c38-30(32(40)34-16-7-1-8-17-34)26-22-36(28-14-5-3-12-24(26)28)20-11-21-37-23-27(25-13-4-6-15-29(25)37)31(39)33(41)35-18-9-2-10-19-35/h3-6,12-15,22-23H,1-2,7-11,16-21H2
InChIKeyHAZNTMSFKLXJAC-UHFFFAOYSA-N
MW552.68 g/mol
LogP5.08
Rot. Bonds8

About 1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione

1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione (PubChem CID 54583797) has the molecular formula C33H36N4O4 and a molecular weight of 552.68 g/mol. Its IUPAC name is 1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
PubChem CID54583797
Molecular FormulaC33H36N4O4
Molecular Weight552.68 g/mol
Exact Mass552.27
IUPAC Name1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1cn(CCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)c2ccccc12
InChIInChI=1S/C33H36N4O4/c38-30(32(40)34-16-7-1-8-17-34)26-22-36(28-14-5-3-12-24(26)28)20-11-21-37-23-27(25-13-4-6-15-29(25)37)31(39)33(41)35-18-9-2-10-19-35/h3-6,12-15,22-23H,1-2,7-11,16-21H2
InChIKeyHAZNTMSFKLXJAC-UHFFFAOYSA-N
XLogP5.08
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-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 1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione (CID 54583797) is 1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCCC1)c1cn(CCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)c2ccccc12.
What is the InChIKey of 1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is HAZNTMSFKLXJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O4/c38-30(32(40)34-16-7-1-8-17-34)26-22-36(28-14-5-3-12-24(26)28)20-11-21-37-23-27(25-13-4-6-15-29(25)37)31(39)33(41)35-18-9-2-10-19-35/h3-6,12-15,22-23H,1-2,7-11,16-21H2.
What are the key properties of 1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione?
1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 552.68 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[3-(2-oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 54583797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).