1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid

C12H15N3O5 — CID 43170488

IUPAC1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H15N3O5/c16-9-5-8(13-12(20)14-9)6-10(17)15-3-1-7(2-4-15)11(18)19/h5,7H,1-4,6H2,(H,18,19)(H2,13,14,16,20)
InChIKeyMJSOHRYDAXTADT-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.07
Rot. Bonds3

About 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 43170488) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID43170488
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H15N3O5/c16-9-5-8(13-12(20)14-9)6-10(17)15-3-1-7(2-4-15)11(18)19/h5,7H,1-4,6H2,(H,18,19)(H2,13,14,16,20)
InChIKeyMJSOHRYDAXTADT-UHFFFAOYSA-N
XLogP-1.07
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide
CID 2150009
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 24709932
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 43354182
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 43355166
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-3-carboxylic acid
CID 43355935
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoic acid
CID 43360180
methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylate
CID 43422518
1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 53337389
6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 54878844
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propan-2-ylamino]butanoic acid
CID 60827422
6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 62357945
2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid
CID 62690762

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid (CID 43170488) is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is MJSOHRYDAXTADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-5-8(13-12(20)14-9)6-10(17)15-3-1-7(2-4-15)11(18)19/h5,7H,1-4,6H2,(H,18,19)(H2,13,14,16,20).
What are the key properties of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43170488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).