methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate

C12H15N3O5 — CID 43404819

IUPACmethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H15N3O5/c1-20-11(18)7-2-4-15(5-3-7)10(17)8-6-9(16)14-12(19)13-8/h6-7H,2-5H2,1H3,(H2,13,14,16,19)
InChIKeyDWMPLPYYTBZMNS-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.91
Rot. Bonds2

About methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate

methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate (PubChem CID 43404819) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate
PubChem CID43404819
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Namemethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H15N3O5/c1-20-11(18)7-2-4-15(5-3-7)10(17)8-6-9(16)14-12(19)13-8/h6-7H,2-5H2,1H3,(H2,13,14,16,19)
InChIKeyDWMPLPYYTBZMNS-UHFFFAOYSA-N
XLogP-0.91
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate (CID 43404819) is methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate?
The InChIKey is DWMPLPYYTBZMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-20-11(18)7-2-4-15(5-3-7)10(17)8-6-9(16)14-12(19)13-8/h6-7H,2-5H2,1H3,(H2,13,14,16,19).
What are the key properties of methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate?
methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate has a molecular weight of 281.27 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43404819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).