1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid

C13H16N4O2 — CID 43441574

IUPAC1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cn3cccnc3n2)CC1
InChIInChI=1S/C13H16N4O2/c18-12(19)10-2-6-16(7-3-10)8-11-9-17-5-1-4-14-13(17)15-11/h1,4-5,9-10H,2-3,6-8H2,(H,18,19)
InChIKeyAWDUZNOQJZPUGH-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.03
Rot. Bonds3

About 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid

1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 43441574) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid
PubChem CID43441574
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cn3cccnc3n2)CC1
InChIInChI=1S/C13H16N4O2/c18-12(19)10-2-6-16(7-3-10)8-11-9-17-5-1-4-14-13(17)15-11/h1,4-5,9-10H,2-3,6-8H2,(H,18,19)
InChIKeyAWDUZNOQJZPUGH-UHFFFAOYSA-N
XLogP1.03
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid (CID 43441574) is 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2cn3cccnc3n2)CC1.
What is the InChIKey of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is AWDUZNOQJZPUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-12(19)10-2-6-16(7-3-10)8-11-9-17-5-1-4-14-13(17)15-11/h1,4-5,9-10H,2-3,6-8H2,(H,18,19).
What are the key properties of 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid?
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43441574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).