4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione

C24H32N4O2 — CID 3025767

IUPAC4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCCCN2CCN(c3ccc4ccccc4n3)CC2)C(=O)C1
InChIInChI=1S/C24H32N4O2/c1-24(2)17-22(29)28(23(30)18-24)12-6-5-11-26-13-15-27(16-14-26)21-10-9-19-7-3-4-8-20(19)25-21/h3-4,7-10H,5-6,11-18H2,1-2H3
InChIKeyBMDBAQIDESDSEP-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.31
Rot. Bonds6

About 4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione

4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione (PubChem CID 3025767) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
PubChem CID3025767
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCCCN2CCN(c3ccc4ccccc4n3)CC2)C(=O)C1
InChIInChI=1S/C24H32N4O2/c1-24(2)17-22(29)28(23(30)18-24)12-6-5-11-26-13-15-27(16-14-26)21-10-9-19-7-3-4-8-20(19)25-21/h3-4,7-10H,5-6,11-18H2,1-2H3
InChIKeyBMDBAQIDESDSEP-UHFFFAOYSA-N
XLogP3.31
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-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 4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione (CID 3025767) is 4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione is CC1(C)CC(=O)N(CCCCN2CCN(c3ccc4ccccc4n3)CC2)C(=O)C1.
What is the InChIKey of 4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione?
The InChIKey is BMDBAQIDESDSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-24(2)17-22(29)28(23(30)18-24)12-6-5-11-26-13-15-27(16-14-26)21-10-9-19-7-3-4-8-20(19)25-21/h3-4,7-10H,5-6,11-18H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione?
4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione has a molecular weight of 408.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione is sourced from PubChem (CID 3025767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).