2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate

C13H16N4O2 — CID 71225902

IUPAC2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate
SMILESC[N+]12C=CN=CC1=C(C1CCCCN1C(=O)[O-])N=C2
InChIInChI=1S/C13H16N4O2/c1-17-7-5-14-8-11(17)12(15-9-17)10-4-2-3-6-16(10)13(18)19/h5,7-10H,2-4,6H2,1H3
InChIKeyNYYFUGBGJRERGJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.44
Rot. Bonds1

About 2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate

2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate (PubChem CID 71225902) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate
PubChem CID71225902
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate
SMILESC[N+]12C=CN=CC1=C(C1CCCCN1C(=O)[O-])N=C2
InChIInChI=1S/C13H16N4O2/c1-17-7-5-14-8-11(17)12(15-9-17)10-4-2-3-6-16(10)13(18)19/h5,7-10H,2-4,6H2,1H3
InChIKeyNYYFUGBGJRERGJ-UHFFFAOYSA-N
XLogP0.44
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 18542490
2-[4-amino-1-(1-but-2-ynoylpiperidin-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(4-methylpyrimidin-2-yl)benzamide
CID 89389616
4-[4-methyl-1-(1-prop-2-enoylpiperidin-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 89389106
4-[4-amino-1-(1-but-2-ynoylpiperidin-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
CID 89389262
4-[4-amino-1-[(2S)-1-[(E)-4-methoxybut-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-4-ium-3-yl]-3-methyl-N-pyridin-2-ylbenzamide
CID 90186229
N-(4-ethyl-2-pyridinyl)-4-[4-methyl-1-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]benzamide
CID 89389221
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate
CID 154244901
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110270767
(2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid
CID 135283972
1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984813
1-[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984814

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate?
The IUPAC name of 2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate (CID 71225902) is 2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for 2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate?
The canonical SMILES for 2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate is C[N+]12C=CN=CC1=C(C1CCCCN1C(=O)[O-])N=C2.
What is the InChIKey of 2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate?
The InChIKey is NYYFUGBGJRERGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-7-5-14-8-11(17)12(15-9-17)10-4-2-3-6-16(10)13(18)19/h5,7-10H,2-4,6H2,1H3.
What are the key properties of 2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate?
2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylimidazo[1,5-a]pyrazin-4-ium-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 71225902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).