1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid

C11H15N3O2 — CID 62699953

IUPAC1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ncccn2)CC1
InChIInChI=1S/C11H15N3O2/c15-11(16)9-2-6-14(7-3-9)8-10-12-4-1-5-13-10/h1,4-5,9H,2-3,6-8H2,(H,15,16)
InChIKeyKYTKVEPJUBMNQT-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.77
Rot. Bonds3

About 1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid

1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 62699953) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid
PubChem CID62699953
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ncccn2)CC1
InChIInChI=1S/C11H15N3O2/c15-11(16)9-2-6-14(7-3-9)8-10-12-4-1-5-13-10/h1,4-5,9H,2-3,6-8H2,(H,15,16)
InChIKeyKYTKVEPJUBMNQT-UHFFFAOYSA-N
XLogP0.77
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(pyrimidin-2-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid (CID 62699953) is 1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ncccn2)CC1.
What is the InChIKey of 1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is KYTKVEPJUBMNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)9-2-6-14(7-3-9)8-10-12-4-1-5-13-10/h1,4-5,9H,2-3,6-8H2,(H,15,16).
What are the key properties of 1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid?
1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 62699953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).