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

C12H15N3O5 — CID 43170466

IUPAC1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H15N3O5/c16-9-3-6-15(12(20)13-9)7-10(17)14-4-1-8(2-5-14)11(18)19/h3,6,8H,1-2,4-5,7H2,(H,18,19)(H,13,16,20)
InChIKeyDTMPPLKGWLGRBJ-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.14
Rot. Bonds3

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

1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 43170466) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID43170466
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H15N3O5/c16-9-3-6-15(12(20)13-9)7-10(17)14-4-1-8(2-5-14)11(18)19/h3,6,8H,1-2,4-5,7H2,(H,18,19)(H,13,16,20)
InChIKeyDTMPPLKGWLGRBJ-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

Analyze 1-[2-(2,4-dioxopyrimidin-1-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-(5-Fluoro-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 63557587
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 24709932
1-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 28789383
1-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide
CID 32978517
1-[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 43170464
4-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]-methylamino]butanoic acid
CID 43172433
4-[[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43355097
4-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43355101
1-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 43355866
1-[2-Oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperidine-4-carboxylic acid
CID 43386141
methyl 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 43404819
Methyl 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
CID 43408685

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid (CID 43170466) is 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1.
What is the InChIKey of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is DTMPPLKGWLGRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-3-6-15(12(20)13-9)7-10(17)14-4-1-8(2-5-14)11(18)19/h3,6,8H,1-2,4-5,7H2,(H,18,19)(H,13,16,20).
What are the key properties of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 43170466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).