1-pyrimidin-2-ylpiperidine-4-carboxylic acid

C10H13N3O2 — CID 2767267

IUPAC1-pyrimidin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H13N3O2/c14-9(15)8-2-6-13(7-3-8)10-11-4-1-5-12-10/h1,4-5,8H,2-3,6-7H2,(H,14,15)
InChIKeyDYVXURZASBPYFR-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.78
Rot. Bonds2

About 1-pyrimidin-2-ylpiperidine-4-carboxylic acid

1-pyrimidin-2-ylpiperidine-4-carboxylic acid (PubChem CID 2767267) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-pyrimidin-2-ylpiperidine-4-carboxylic acid
PubChem CID2767267
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-pyrimidin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H13N3O2/c14-9(15)8-2-6-13(7-3-8)10-11-4-1-5-12-10/h1,4-5,8H,2-3,6-7H2,(H,14,15)
InChIKeyDYVXURZASBPYFR-UHFFFAOYSA-N
XLogP0.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyrimidin-2-ylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-pyrimidin-2-ylpiperidine-4-carboxylic acid (CID 2767267) is 1-pyrimidin-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-pyrimidin-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-pyrimidin-2-ylpiperidine-4-carboxylic acid is O=C(O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-pyrimidin-2-ylpiperidine-4-carboxylic acid?
The InChIKey is DYVXURZASBPYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-9(15)8-2-6-13(7-3-8)10-11-4-1-5-12-10/h1,4-5,8H,2-3,6-7H2,(H,14,15).
What are the key properties of 1-pyrimidin-2-ylpiperidine-4-carboxylic acid?
1-pyrimidin-2-ylpiperidine-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 2767267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).