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

C10H13N3O2 — CID 16769819

IUPAC1-pyrimidin-2-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1ncccn1
InChIInChI=1S/C10H13N3O2/c14-9(15)8-4-1-2-7-13(8)10-11-5-3-6-12-10/h3,5-6,8H,1-2,4,7H2,(H,14,15)
InChIKeySKENNNIZCVLEPM-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.92
Rot. Bonds2

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

1-pyrimidin-2-ylpiperidine-2-carboxylic acid (PubChem CID 16769819) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-pyrimidin-2-ylpiperidine-2-carboxylic acid
PubChem CID16769819
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-pyrimidin-2-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1ncccn1
InChIInChI=1S/C10H13N3O2/c14-9(15)8-4-1-2-7-13(8)10-11-5-3-6-12-10/h3,5-6,8H,1-2,4,7H2,(H,14,15)
InChIKeySKENNNIZCVLEPM-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
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-2-carboxylic acid?
The IUPAC name of 1-pyrimidin-2-ylpiperidine-2-carboxylic acid (CID 16769819) is 1-pyrimidin-2-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-pyrimidin-2-ylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-pyrimidin-2-ylpiperidine-2-carboxylic acid is O=C(O)C1CCCCN1c1ncccn1.
What is the InChIKey of 1-pyrimidin-2-ylpiperidine-2-carboxylic acid?
The InChIKey is SKENNNIZCVLEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-9(15)8-4-1-2-7-13(8)10-11-5-3-6-12-10/h3,5-6,8H,1-2,4,7H2,(H,14,15).
What are the key properties of 1-pyrimidin-2-ylpiperidine-2-carboxylic acid?
1-pyrimidin-2-ylpiperidine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.92, 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-2-carboxylic acid is sourced from PubChem (CID 16769819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).