1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione

C19H26ClN3O2 — CID 11268507

IUPAC1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCN2CCN(c3ccccc3Cl)CC2)C(=O)C1
InChIInChI=1S/C19H26ClN3O2/c1-19(2)13-17(24)23(18(25)14-19)12-9-21-7-10-22(11-8-21)16-6-4-3-5-15(16)20/h3-6H,7-14H2,1-2H3
InChIKeyHKVGUNQUKFESHS-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.64
Rot. Bonds4

About 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione

1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 11268507) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID11268507
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCN2CCN(c3ccccc3Cl)CC2)C(=O)C1
InChIInChI=1S/C19H26ClN3O2/c1-19(2)13-17(24)23(18(25)14-19)12-9-21-7-10-22(11-8-21)16-6-4-3-5-15(16)20/h3-6H,7-14H2,1-2H3
InChIKeyHKVGUNQUKFESHS-UHFFFAOYSA-N
XLogP2.64
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-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 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione (CID 11268507) is 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(CCN2CCN(c3ccccc3Cl)CC2)C(=O)C1.
What is the InChIKey of 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is HKVGUNQUKFESHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-19(2)13-17(24)23(18(25)14-19)12-9-21-7-10-22(11-8-21)16-6-4-3-5-15(16)20/h3-6H,7-14H2,1-2H3.
What are the key properties of 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione?
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 363.89 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 11268507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).