3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one

C14H23N3O — CID 30322600

IUPAC3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one
SMILESCCCCn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C14H23N3O/c1-3-4-10-17-13(18)11-12(2)15-14(17)16-8-6-5-7-9-16/h11H,3-10H2,1-2H3
InChIKeyUPHPSWPBJHBCPL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.34
Rot. Bonds4

About 3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one

3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one (PubChem CID 30322600) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one
PubChem CID30322600
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one
SMILESCCCCn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C14H23N3O/c1-3-4-10-17-13(18)11-12(2)15-14(17)16-8-6-5-7-9-16/h11H,3-10H2,1-2H3
InChIKeyUPHPSWPBJHBCPL-UHFFFAOYSA-N
XLogP2.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one (CID 30322600) is 3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one is CCCCn1c(N2CCCCC2)nc(C)cc1=O.
What is the InChIKey of 3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one?
The InChIKey is UPHPSWPBJHBCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-4-10-17-13(18)11-12(2)15-14(17)16-8-6-5-7-9-16/h11H,3-10H2,1-2H3.
What are the key properties of 3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one?
3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one has a molecular weight of 249.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-methyl-2-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 30322600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).