(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

C13H15N5O2 — CID 95366508

IUPAC(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C13H15N5O2/c19-13(20)10-2-1-4-17(7-10)11-6-12(16-8-15-11)18-5-3-14-9-18/h3,5-6,8-10H,1-2,4,7H2,(H,19,20)/t10-/m1/s1
InChIKeyXFVCXZAJRYOAEF-SNVBAGLBSA-N
MW273.30 g/mol
LogP0.96
Rot. Bonds3

About (3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 95366508) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is (3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID95366508
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C13H15N5O2/c19-13(20)10-2-1-4-17(7-10)11-6-12(16-8-15-11)18-5-3-14-9-18/h3,5-6,8-10H,1-2,4,7H2,(H,19,20)/t10-/m1/s1
InChIKeyXFVCXZAJRYOAEF-SNVBAGLBSA-N
XLogP0.96
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 95366508) is (3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(c2cc(-n3ccnc3)ncn2)C1.
What is the InChIKey of (3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is XFVCXZAJRYOAEF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-13(20)10-2-1-4-17(7-10)11-6-12(16-8-15-11)18-5-3-14-9-18/h3,5-6,8-10H,1-2,4,7H2,(H,19,20)/t10-/m1/s1.
What are the key properties of (3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 273.30 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95366508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).