2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid

C13H20N4O2 — CID 67378273

IUPAC2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1CCn2cc(CN3CCCCC3)nc2C1
InChIInChI=1S/C13H20N4O2/c18-13(19)17-7-6-16-9-11(14-12(16)10-17)8-15-4-2-1-3-5-15/h9H,1-8,10H2,(H,18,19)
InChIKeyZDOHCODBCXEJCC-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.36
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid

2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 67378273) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid
PubChem CID67378273
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1CCn2cc(CN3CCCCC3)nc2C1
InChIInChI=1S/C13H20N4O2/c18-13(19)17-7-6-16-9-11(14-12(16)10-17)8-15-4-2-1-3-5-15/h9H,1-8,10H2,(H,18,19)
InChIKeyZDOHCODBCXEJCC-UHFFFAOYSA-N
XLogP1.36
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97467402
1,2-oxazol-5-yl-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97390277
[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone
CID 97390271
[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-3-ylmethanone
CID 97467406
1-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
CID 97390280
(5-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97467377
1-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 155852281
7-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467389
3-(naphthalen-2-ylsulfanylamino)-3-phenyl-1-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 143834117
2-(piperidin-1-ylmethyl)-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97382059
7-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155830854
7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467363

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid (CID 67378273) is 2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid is O=C(O)N1CCn2cc(CN3CCCCC3)nc2C1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is ZDOHCODBCXEJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13(19)17-7-6-16-9-11(14-12(16)10-17)8-15-4-2-1-3-5-15/h9H,1-8,10H2,(H,18,19).
What are the key properties of 2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid?
2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 67378273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).