3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid

C12H17N3O2 — CID 167995771

IUPAC3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid
SMILESCN1CCCC(Cc2nccnc2C(=O)O)C1
InChIInChI=1S/C12H17N3O2/c1-15-6-2-3-9(8-15)7-10-11(12(16)17)14-5-4-13-10/h4-5,9H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyTZQMCMLJZMAPQQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.06
Rot. Bonds3

About 3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid

3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid (PubChem CID 167995771) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid
PubChem CID167995771
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid
SMILESCN1CCCC(Cc2nccnc2C(=O)O)C1
InChIInChI=1S/C12H17N3O2/c1-15-6-2-3-9(8-15)7-10-11(12(16)17)14-5-4-13-10/h4-5,9H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyTZQMCMLJZMAPQQ-UHFFFAOYSA-N
XLogP1.06
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide
CID 110271533
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylpiperidin-3-yl)methyl]pyrazine
CID 118740273
3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide
CID 110257660
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961929
4-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazin-2-yl]benzoic acid
CID 110112210
cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124987285
3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide
CID 127248108
1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023202
3-amino-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 110113301
4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 124959685
3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117150721

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid (CID 167995771) is 3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid is CN1CCCC(Cc2nccnc2C(=O)O)C1.
What is the InChIKey of 3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid?
The InChIKey is TZQMCMLJZMAPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-6-2-3-9(8-15)7-10-11(12(16)17)14-5-4-13-10/h4-5,9H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of 3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid?
3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167995771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).