4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid

C10H13N3O3 — CID 115114288

IUPAC4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(C2CCCNC2)cnc1=O
InChIInChI=1S/C10H13N3O3/c14-9-8(10(15)16)5-13(6-12-9)7-2-1-3-11-4-7/h5-7,11H,1-4H2,(H,15,16)
InChIKeyPOERNBXNVOMUHZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.13
Rot. Bonds2

About 4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid

4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid (PubChem CID 115114288) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid
PubChem CID115114288
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(C2CCCNC2)cnc1=O
InChIInChI=1S/C10H13N3O3/c14-9-8(10(15)16)5-13(6-12-9)7-2-1-3-11-4-7/h5-7,11H,1-4H2,(H,15,16)
InChIKeyPOERNBXNVOMUHZ-UHFFFAOYSA-N
XLogP-0.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-oxo-1-piperidin-3-ylpyrimidine-5-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

3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid
CID 124510052
(3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine
CID 175254745
(3S)-3-[4-(4-chloro-1H-pyrrol-2-yl)imidazol-1-yl]piperidine
CID 174544445
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-piperidin-3-ylimidazole-4-carboxamide
CID 167833392
methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
CID 163353124
(3S)-3-pyrrol-1-ylpiperidine
CID 95378995
(3R)-3-pyrrol-1-ylpiperidine
CID 95378994
1-(azetidin-3-yl)imidazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 138689930
1-(1-piperidin-3-yltriazol-4-yl)ethanone
CID 164663675
(3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one
CID 175514288
1-cyclopropyl-3-piperidin-3-ylimidazolidin-2-one;hydrochloride
CID 118115296
4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one
CID 166162675

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid (CID 115114288) is 4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid is O=C(O)c1cn(C2CCCNC2)cnc1=O.
What is the InChIKey of 4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid?
The InChIKey is POERNBXNVOMUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-8(10(15)16)5-13(6-12-9)7-2-1-3-11-4-7/h5-7,11H,1-4H2,(H,15,16).
What are the key properties of 4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid?
4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 115114288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).