ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate

C13H17N3O5 — CID 43404456

IUPACethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C13H17N3O5/c1-2-21-12(19)8-4-3-5-16(7-8)11(18)9-6-10(17)15-13(20)14-9/h6,8H,2-5,7H2,1H3,(H2,14,15,17,20)
InChIKeyQLXOPYFOGUHAKP-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.52
Rot. Bonds3

About ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate

ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate (PubChem CID 43404456) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate
PubChem CID43404456
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Nameethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C13H17N3O5/c1-2-21-12(19)8-4-3-5-16(7-8)11(18)9-6-10(17)15-13(20)14-9/h6,8H,2-5,7H2,1H3,(H2,14,15,17,20)
InChIKeyQLXOPYFOGUHAKP-UHFFFAOYSA-N
XLogP-0.52
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate (CID 43404456) is ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate?
The InChIKey is QLXOPYFOGUHAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-2-21-12(19)8-4-3-5-16(7-8)11(18)9-6-10(17)15-13(20)14-9/h6,8H,2-5,7H2,1H3,(H2,14,15,17,20).
What are the key properties of ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate?
ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate has a molecular weight of 295.30 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 43404456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).