1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid

C12H15N3O5 — CID 43355866

IUPAC1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C12H15N3O5/c16-9-3-5-15(12(20)13-9)7-10(17)14-4-1-2-8(6-14)11(18)19/h3,5,8H,1-2,4,6-7H2,(H,18,19)(H,13,16,20)
InChIKeyFQJFVYMIAAAZCP-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.14
Rot. Bonds3

About 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid

1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 43355866) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID43355866
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C12H15N3O5/c16-9-3-5-15(12(20)13-9)7-10(17)14-4-1-2-8(6-14)11(18)19/h3,5,8H,1-2,4,6-7H2,(H,18,19)(H,13,16,20)
InChIKeyFQJFVYMIAAAZCP-UHFFFAOYSA-N
XLogP-1.14
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid (CID 43355866) is 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is FQJFVYMIAAAZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-3-5-15(12(20)13-9)7-10(17)14-4-1-2-8(6-14)11(18)19/h3,5,8H,1-2,4,6-7H2,(H,18,19)(H,13,16,20).
What are the key properties of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43355866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).