1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid

C13H19N3O4 — CID 22421353

IUPAC1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCn1c(N2CCC(C(=O)O)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O4/c1-3-16-10(8-11(17)14(2)13(16)20)15-6-4-9(5-7-15)12(18)19/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyWVCRLMCRTDBDJW-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.13
Rot. Bonds3

About 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid

1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 22421353) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID22421353
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCn1c(N2CCC(C(=O)O)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O4/c1-3-16-10(8-11(17)14(2)13(16)20)15-6-4-9(5-7-15)12(18)19/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyWVCRLMCRTDBDJW-UHFFFAOYSA-N
XLogP-0.13
TPSA84.54 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 ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid (CID 22421353) is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid is CCn1c(N2CCC(C(=O)O)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is WVCRLMCRTDBDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-16-10(8-11(17)14(2)13(16)20)15-6-4-9(5-7-15)12(18)19/h8-9H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 22421353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).