5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid

C11H15N3O2 — CID 123578184

IUPAC5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid
SMILESCN1CCC(c2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C11H15N3O2/c1-14-4-2-8(3-5-14)9-6-13-10(7-12-9)11(15)16/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyWWGHRPNNPSKPMB-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.98
Rot. Bonds2

About 5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid

5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid (PubChem CID 123578184) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid
PubChem CID123578184
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid
SMILESCN1CCC(c2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C11H15N3O2/c1-14-4-2-8(3-5-14)9-6-13-10(7-12-9)11(15)16/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyWWGHRPNNPSKPMB-UHFFFAOYSA-N
XLogP0.98
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid 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

5-cyclopentylpyrazine-2-carboxylic acid
CID 135241231
3-[5-(1-methylpiperidin-4-yl)pyrazin-2-yl]propanoic acid
CID 73439559
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
2-cyclopropyl-5-prop-1-en-2-ylpyrazine
CID 177038910
2-(1-methylpiperidin-4-yl)-5-(piperidin-1-ylmethyl)pyrazine
CID 172524124
5-(1-methylpiperidin-4-yl)pyrazine-2,3-diamine
CID 67362960
4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
CID 116894072
[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 110255712
5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid
CID 115020200
5-morpholin-2-ylpyrazine-2-carboxylic acid
CID 67151543
4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide
CID 116904091
4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid
CID 116864964

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid (CID 123578184) is 5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid is CN1CCC(c2cnc(C(=O)O)cn2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid?
The InChIKey is WWGHRPNNPSKPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14-4-2-8(3-5-14)9-6-13-10(7-12-9)11(15)16/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid?
5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 123578184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).