2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione

C23H24N4O2 — CID 3075502

IUPAC2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione
SMILESO=C1Cc2c([nH]c3ccccc23)C(=O)N1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H24N4O2/c28-21-16-19-18-8-4-5-9-20(18)24-22(19)23(29)27(21)15-12-25-10-13-26(14-11-25)17-6-2-1-3-7-17/h1-9,24H,10-16H2
InChIKeyQKSARPLRCOBWLU-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.52
Rot. Bonds4

About 2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione

2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione (PubChem CID 3075502) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione
PubChem CID3075502
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione
SMILESO=C1Cc2c([nH]c3ccccc23)C(=O)N1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H24N4O2/c28-21-16-19-18-8-4-5-9-20(18)24-22(19)23(29)27(21)15-12-25-10-13-26(14-11-25)17-6-2-1-3-7-17/h1-9,24H,10-16H2
InChIKeyQKSARPLRCOBWLU-UHFFFAOYSA-N
XLogP2.52
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-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 2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione?
The IUPAC name of 2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione (CID 3075502) is 2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione.
What is the SMILES notation for 2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione?
The canonical SMILES for 2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione is O=C1Cc2c([nH]c3ccccc23)C(=O)N1CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione?
The InChIKey is QKSARPLRCOBWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-21-16-19-18-8-4-5-9-20(18)24-22(19)23(29)27(21)15-12-25-10-13-26(14-11-25)17-6-2-1-3-7-17/h1-9,24H,10-16H2.
What are the key properties of 2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione?
2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione has a molecular weight of 388.47 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione is sourced from PubChem (CID 3075502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).