1-acetyl-2,3,6-triphenylpiperidin-4-one

C25H23NO2 — CID 576249

IUPAC1-acetyl-2,3,6-triphenylpiperidin-4-one
SMILESCC(=O)N1C(c2ccccc2)CC(=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H23NO2/c1-18(27)26-22(19-11-5-2-6-12-19)17-23(28)24(20-13-7-3-8-14-20)25(26)21-15-9-4-10-16-21/h2-16,22,24-25H,17H2,1H3
InChIKeyBHCVEZXVFMWSNG-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.07
Rot. Bonds3

About 1-acetyl-2,3,6-triphenylpiperidin-4-one

1-acetyl-2,3,6-triphenylpiperidin-4-one (PubChem CID 576249) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-acetyl-2,3,6-triphenylpiperidin-4-one.

Molecular Properties

Compound Name1-acetyl-2,3,6-triphenylpiperidin-4-one
PubChem CID576249
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name1-acetyl-2,3,6-triphenylpiperidin-4-one
SMILESCC(=O)N1C(c2ccccc2)CC(=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H23NO2/c1-18(27)26-22(19-11-5-2-6-12-19)17-23(28)24(20-13-7-3-8-14-20)25(26)21-15-9-4-10-16-21/h2-16,22,24-25H,17H2,1H3
InChIKeyBHCVEZXVFMWSNG-UHFFFAOYSA-N
XLogP5.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,3,6-triphenylpiperidin-4-one?
The IUPAC name of 1-acetyl-2,3,6-triphenylpiperidin-4-one (CID 576249) is 1-acetyl-2,3,6-triphenylpiperidin-4-one.
What is the SMILES notation for 1-acetyl-2,3,6-triphenylpiperidin-4-one?
The canonical SMILES for 1-acetyl-2,3,6-triphenylpiperidin-4-one is CC(=O)N1C(c2ccccc2)CC(=O)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-acetyl-2,3,6-triphenylpiperidin-4-one?
The InChIKey is BHCVEZXVFMWSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-18(27)26-22(19-11-5-2-6-12-19)17-23(28)24(20-13-7-3-8-14-20)25(26)21-15-9-4-10-16-21/h2-16,22,24-25H,17H2,1H3.
What are the key properties of 1-acetyl-2,3,6-triphenylpiperidin-4-one?
1-acetyl-2,3,6-triphenylpiperidin-4-one has a molecular weight of 369.46 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,3,6-triphenylpiperidin-4-one is sourced from PubChem (CID 576249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).