1-pyrimidin-2-ylpiperidine-3-carboxylic acid

C10H13N3O2 — CID 4736951

IUPAC1-pyrimidin-2-ylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C10H13N3O2/c14-9(15)8-3-1-6-13(7-8)10-11-4-2-5-12-10/h2,4-5,8H,1,3,6-7H2,(H,14,15)
InChIKeyBQYFIPZSFFELOY-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.78
Rot. Bonds2

About 1-pyrimidin-2-ylpiperidine-3-carboxylic acid

1-pyrimidin-2-ylpiperidine-3-carboxylic acid (PubChem CID 4736951) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-pyrimidin-2-ylpiperidine-3-carboxylic acid
PubChem CID4736951
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-pyrimidin-2-ylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C10H13N3O2/c14-9(15)8-3-1-6-13(7-8)10-11-4-2-5-12-10/h2,4-5,8H,1,3,6-7H2,(H,14,15)
InChIKeyBQYFIPZSFFELOY-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

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 1-pyrimidin-2-ylpiperidine-3-carboxylic acid (CID 4736951) is 1-pyrimidin-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-pyrimidin-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-pyrimidin-2-ylpiperidine-3-carboxylic acid is O=C(O)C1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-pyrimidin-2-ylpiperidine-3-carboxylic acid?
The InChIKey is BQYFIPZSFFELOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-9(15)8-3-1-6-13(7-8)10-11-4-2-5-12-10/h2,4-5,8H,1,3,6-7H2,(H,14,15).
What are the key properties of 1-pyrimidin-2-ylpiperidine-3-carboxylic acid?
1-pyrimidin-2-ylpiperidine-3-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-3-carboxylic acid is sourced from PubChem (CID 4736951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).