3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione

C25H28N2O2 — CID 6433620

IUPAC3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccccc2)(C2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C25H28N2O2/c28-23-13-16-25(24(29)26-23,21-11-5-2-6-12-21)22-14-18-27(19-15-22)17-7-10-20-8-3-1-4-9-20/h1-12,22H,13-19H2,(H,26,28,29)/b10-7+
InChIKeyVCMZUKHJKLNFPH-JXMROGBWSA-N
MW388.51 g/mol
LogP3.79
Rot. Bonds5

About 3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione

3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione (PubChem CID 6433620) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione
PubChem CID6433620
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccccc2)(C2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C25H28N2O2/c28-23-13-16-25(24(29)26-23,21-11-5-2-6-12-21)22-14-18-27(19-15-22)17-7-10-20-8-3-1-4-9-20/h1-12,22H,13-19H2,(H,26,28,29)/b10-7+
InChIKeyVCMZUKHJKLNFPH-JXMROGBWSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]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 3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione?
The IUPAC name of 3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione (CID 6433620) is 3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione?
The canonical SMILES for 3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione is O=C1CCC(c2ccccc2)(C2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1.
What is the InChIKey of 3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione?
The InChIKey is VCMZUKHJKLNFPH-JXMROGBWSA-N. The full InChI is InChI=1S/C25H28N2O2/c28-23-13-16-25(24(29)26-23,21-11-5-2-6-12-21)22-14-18-27(19-15-22)17-7-10-20-8-3-1-4-9-20/h1-12,22H,13-19H2,(H,26,28,29)/b10-7+.
What are the key properties of 3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione?
3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione has a molecular weight of 388.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]piperidine-2,6-dione is sourced from PubChem (CID 6433620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).