ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate

C13H19N3O4 — CID 22421352

IUPACethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1
InChIInChI=1S/C13H19N3O4/c1-3-20-12(18)9-4-6-16(7-5-9)10-8-11(17)15(2)13(19)14-10/h8-9H,3-7H2,1-2H3,(H,14,19)
InChIKeyFQBRVDWJFPJJJU-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.15
Rot. Bonds3

About ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate

ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate (PubChem CID 22421352) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate
PubChem CID22421352
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nameethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1
InChIInChI=1S/C13H19N3O4/c1-3-20-12(18)9-4-6-16(7-5-9)10-8-11(17)15(2)13(19)14-10/h8-9H,3-7H2,1-2H3,(H,14,19)
InChIKeyFQBRVDWJFPJJJU-UHFFFAOYSA-N
XLogP-0.15
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate (CID 22421352) is ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1.
What is the InChIKey of ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate?
The InChIKey is FQBRVDWJFPJJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-20-12(18)9-4-6-16(7-5-9)10-8-11(17)15(2)13(19)14-10/h8-9H,3-7H2,1-2H3,(H,14,19).
What are the key properties of ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate?
ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate has a molecular weight of 281.31 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate is sourced from PubChem (CID 22421352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).