3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione

C23H26N2O2 — CID 21847

IUPAC3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione
SMILESO=C1CCC(c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)
InChIKeyLQQIVYSCPWCSSD-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.27
Rot. Bonds4

About 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione

3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione (PubChem CID 21847) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione
PubChem CID21847
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione
SMILESO=C1CCC(c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1
InChIInChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)
InChIKeyLQQIVYSCPWCSSD-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione (CID 21847) is 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione is O=C1CCC(c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione?
The InChIKey is LQQIVYSCPWCSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione?
3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione has a molecular weight of 362.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 21847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).