1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid

C11H13N3O5 — CID 24696646

IUPAC1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H13N3O5/c15-8-4-7(12-11(19)13-8)9(16)14-3-1-2-6(5-14)10(17)18/h4,6H,1-3,5H2,(H,17,18)(H2,12,13,15,19)
InChIKeyCEYLLUZPOCAGPL-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.00
Rot. Bonds2

About 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid

1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid (PubChem CID 24696646) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
PubChem CID24696646
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H13N3O5/c15-8-4-7(12-11(19)13-8)9(16)14-3-1-2-6(5-14)10(17)18/h4,6H,1-3,5H2,(H,17,18)(H2,12,13,15,19)
InChIKeyCEYLLUZPOCAGPL-UHFFFAOYSA-N
XLogP-1.00
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 139021469
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 24709932
(3R)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 28186078
(3S)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 28186080
(3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 28789825
(3S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 28789828
1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 43211104
1-[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 43355860
1-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 43355866
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid
CID 43355935
ethyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylate
CID 43404456
6-[3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43589522

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid (CID 24696646) is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is CEYLLUZPOCAGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-4-7(12-11(19)13-8)9(16)14-3-1-2-6(5-14)10(17)18/h4,6H,1-3,5H2,(H,17,18)(H2,12,13,15,19).
What are the key properties of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid?
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 24696646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).