3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one

C15H19N3O2 — CID 121184188

IUPAC3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCC(=C3CC3)CC2)cn1
InChIInChI=1S/C15H19N3O2/c1-11-8-14(19)18(10-16-11)9-15(20)17-6-4-13(5-7-17)12-2-3-12/h8,10H,2-7,9H2,1H3
InChIKeyYJLTUPQSFMOAMB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.26
Rot. Bonds2

About 3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one

3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one (PubChem CID 121184188) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one
PubChem CID121184188
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCC(=C3CC3)CC2)cn1
InChIInChI=1S/C15H19N3O2/c1-11-8-14(19)18(10-16-11)9-15(20)17-6-4-13(5-7-17)12-2-3-12/h8,10H,2-7,9H2,1H3
InChIKeyYJLTUPQSFMOAMB-UHFFFAOYSA-N
XLogP1.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one (CID 121184188) is 3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CCC(=C3CC3)CC2)cn1.
What is the InChIKey of 3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one?
The InChIKey is YJLTUPQSFMOAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-8-14(19)18(10-16-11)9-15(20)17-6-4-13(5-7-17)12-2-3-12/h8,10H,2-7,9H2,1H3.
What are the key properties of 3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one?
3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclopropylidenepiperidin-1-yl)-2-oxoethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 121184188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).