(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate

C12H15N3O5 — CID 2424724

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c16-9-6-8(13-12(19)14-9)11(18)20-7-10(17)15-4-2-1-3-5-15/h6H,1-5,7H2,(H2,13,14,16,19)
InChIKeyRFRXTJIOXUAHOF-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.77
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 2424724) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID2424724
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c16-9-6-8(13-12(19)14-9)11(18)20-7-10(17)15-4-2-1-3-5-15/h6H,1-5,7H2,(H2,13,14,16,19)
InChIKeyRFRXTJIOXUAHOF-UHFFFAOYSA-N
XLogP-0.77
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 2424724) is (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate is O=C(OCC(=O)N1CCCCC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is RFRXTJIOXUAHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-6-8(13-12(19)14-9)11(18)20-7-10(17)15-4-2-1-3-5-15/h6H,1-5,7H2,(H2,13,14,16,19).
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 281.27 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 2424724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).