(3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid

C12H14N4O2 — CID 130409213

IUPAC(3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H](c2ncc3cnccn23)C1
InChIInChI=1S/C12H14N4O2/c17-12(18)15-4-1-2-9(8-15)11-14-7-10-6-13-3-5-16(10)11/h3,5-7,9H,1-2,4,8H2,(H,17,18)/t9-/m1/s1
InChIKeyXBUKQOWQHBCIIU-SECBINFHSA-N
MW246.27 g/mol
LogP1.59
Rot. Bonds1

About (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid

(3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid (PubChem CID 130409213) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid
PubChem CID130409213
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H](c2ncc3cnccn23)C1
InChIInChI=1S/C12H14N4O2/c17-12(18)15-4-1-2-9(8-15)11-14-7-10-6-13-3-5-16(10)11/h3,5-7,9H,1-2,4,8H2,(H,17,18)/t9-/m1/s1
InChIKeyXBUKQOWQHBCIIU-SECBINFHSA-N
XLogP1.59
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
1-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 96574284
1-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70728894
3-(8-amino-1-bromo-5-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylic acid
CID 89387342
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
3-(1-ethylpiperidin-3-yl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140157
3-cyclobutylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83835844
N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 70760109
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
1-[2-oxo-2-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97210136
(3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72927120
3-pyrazol-1-yl-1-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72915772

Frequently Asked Questions

What is the IUPAC name of (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid (CID 130409213) is (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid is O=C(O)N1CCC[C@@H](c2ncc3cnccn23)C1.
What is the InChIKey of (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid?
The InChIKey is XBUKQOWQHBCIIU-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(18)15-4-1-2-9(8-15)11-14-7-10-6-13-3-5-16(10)11/h3,5-7,9H,1-2,4,8H2,(H,17,18)/t9-/m1/s1.
What are the key properties of (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid?
(3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-imidazo[1,5-a]pyrazin-3-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 130409213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).