5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one

C18H21N3O2 — CID 3243928

IUPAC5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one
SMILESCC(=O)c1c(N2CCCCC2)nc(=O)n(-c2ccccc2)c1C
InChIInChI=1S/C18H21N3O2/c1-13-16(14(2)22)17(20-11-7-4-8-12-20)19-18(23)21(13)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKeyJMZRLSVPYXWONT-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.73
Rot. Bonds3

About 5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one

5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one (PubChem CID 3243928) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one
PubChem CID3243928
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one
SMILESCC(=O)c1c(N2CCCCC2)nc(=O)n(-c2ccccc2)c1C
InChIInChI=1S/C18H21N3O2/c1-13-16(14(2)22)17(20-11-7-4-8-12-20)19-18(23)21(13)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKeyJMZRLSVPYXWONT-UHFFFAOYSA-N
XLogP2.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one?
The IUPAC name of 5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one (CID 3243928) is 5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one.
What is the SMILES notation for 5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one?
The canonical SMILES for 5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one is CC(=O)c1c(N2CCCCC2)nc(=O)n(-c2ccccc2)c1C.
What is the InChIKey of 5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one?
The InChIKey is JMZRLSVPYXWONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-16(14(2)22)17(20-11-7-4-8-12-20)19-18(23)21(13)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3.
What are the key properties of 5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one?
5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-1-phenyl-4-piperidin-1-ylpyrimidin-2-one is sourced from PubChem (CID 3243928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).