3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one

C14H23N3O2 — CID 53200956

IUPAC3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one
SMILESCCOCCn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C14H23N3O2/c1-3-19-10-9-17-13(18)11-12(2)15-14(17)16-7-5-4-6-8-16/h11H,3-10H2,1-2H3
InChIKeyFFQLJCMKYRQVDK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.58
Rot. Bonds5

About 3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one

3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one (PubChem CID 53200956) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one
PubChem CID53200956
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one
SMILESCCOCCn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C14H23N3O2/c1-3-19-10-9-17-13(18)11-12(2)15-14(17)16-7-5-4-6-8-16/h11H,3-10H2,1-2H3
InChIKeyFFQLJCMKYRQVDK-UHFFFAOYSA-N
XLogP1.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one (CID 53200956) is 3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one is CCOCCn1c(N2CCCCC2)nc(C)cc1=O.
What is the InChIKey of 3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one?
The InChIKey is FFQLJCMKYRQVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-19-10-9-17-13(18)11-12(2)15-14(17)16-7-5-4-6-8-16/h11H,3-10H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one?
3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one has a molecular weight of 265.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 53200956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).