1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one

C21H19N3O — CID 56767288

IUPAC1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one
SMILESO=C1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H19N3O/c25-18-11-13-24(14-12-18)20-15-19(16-7-3-1-4-8-16)22-21(23-20)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyFDEOABAXQNZVKA-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.98
Rot. Bonds3

About 1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one

1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one (PubChem CID 56767288) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one
PubChem CID56767288
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one
SMILESO=C1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H19N3O/c25-18-11-13-24(14-12-18)20-15-19(16-7-3-1-4-8-16)22-21(23-20)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyFDEOABAXQNZVKA-UHFFFAOYSA-N
XLogP3.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one?
The IUPAC name of 1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one (CID 56767288) is 1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one?
The canonical SMILES for 1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one is O=C1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one?
The InChIKey is FDEOABAXQNZVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-18-11-13-24(14-12-18)20-15-19(16-7-3-1-4-8-16)22-21(23-20)17-9-5-2-6-10-17/h1-10,15H,11-14H2.
What are the key properties of 1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one?
1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one has a molecular weight of 329.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one is sourced from PubChem (CID 56767288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).