3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde

C25H23NO2 — CID 16724505

IUPAC3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde
SMILESO=CN1C(c2ccccc2)CC(=O)C(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H23NO2/c27-18-26-23(20-12-6-2-7-13-20)17-24(28)22(16-19-10-4-1-5-11-19)25(26)21-14-8-3-9-15-21/h1-15,18,22-23,25H,16-17H2
InChIKeyPPWOMOGHZQKVKU-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.76
Rot. Bonds5

About 3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde

3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde (PubChem CID 16724505) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde
PubChem CID16724505
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde
SMILESO=CN1C(c2ccccc2)CC(=O)C(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H23NO2/c27-18-26-23(20-12-6-2-7-13-20)17-24(28)22(16-19-10-4-1-5-11-19)25(26)21-14-8-3-9-15-21/h1-15,18,22-23,25H,16-17H2
InChIKeyPPWOMOGHZQKVKU-UHFFFAOYSA-N
XLogP4.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde?
The IUPAC name of 3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde (CID 16724505) is 3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde.
What is the SMILES notation for 3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde?
The canonical SMILES for 3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde is O=CN1C(c2ccccc2)CC(=O)C(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde?
The InChIKey is PPWOMOGHZQKVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c27-18-26-23(20-12-6-2-7-13-20)17-24(28)22(16-19-10-4-1-5-11-19)25(26)21-14-8-3-9-15-21/h1-15,18,22-23,25H,16-17H2.
What are the key properties of 3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde?
3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde has a molecular weight of 369.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-2,6-diphenylpiperidine-1-carbaldehyde is sourced from PubChem (CID 16724505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).