1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid

C10H13N3O3 — CID 136854288

IUPAC1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C10H13N3O3/c14-9-5-8(11-6-12-9)13-3-1-7(2-4-13)10(15)16/h5-7H,1-4H2,(H,15,16)(H,11,12,14)
InChIKeyUXBQIJNWMJIUCA-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.07
Rot. Bonds2

About 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid

1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 136854288) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID136854288
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C10H13N3O3/c14-9-5-8(11-6-12-9)13-3-1-7(2-4-13)10(15)16/h5-7H,1-4H2,(H,15,16)(H,11,12,14)
InChIKeyUXBQIJNWMJIUCA-UHFFFAOYSA-N
XLogP0.07
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid (CID 136854288) is 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is UXBQIJNWMJIUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-5-8(11-6-12-9)13-3-1-7(2-4-13)10(15)16/h5-7H,1-4H2,(H,15,16)(H,11,12,14).
What are the key properties of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 136854288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).