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

C12H17N3O3 — CID 65469620

IUPAC3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid
SMILESCN1CCCCC1COc1nccnc1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-15-7-3-2-4-9(15)8-18-11-10(12(16)17)13-5-6-14-11/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyBQJKVVPOKQMGPZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.04
Rot. Bonds4

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

3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid (PubChem CID 65469620) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid
PubChem CID65469620
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid
SMILESCN1CCCCC1COc1nccnc1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-15-7-3-2-4-9(15)8-18-11-10(12(16)17)13-5-6-14-11/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyBQJKVVPOKQMGPZ-UHFFFAOYSA-N
XLogP1.04
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1-methylpiperidin-2-yl)methoxy]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

4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 81225049
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid
CID 107554961
6-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 65471120
2-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-sulfonamide
CID 112573106
(1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate
CID 23904865
5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid
CID 65472829
1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid
CID 65467124
3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
CID 136739755
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]-1,3-thiazole
CID 164631730
methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate
CID 114409060
2-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-amine
CID 117096154
3-cyclopentyloxypyrazine-2-carboxylic acid
CID 62702395

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid (CID 65469620) is 3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid is CN1CCCCC1COc1nccnc1C(=O)O.
What is the InChIKey of 3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid?
The InChIKey is BQJKVVPOKQMGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-7-3-2-4-9(15)8-18-11-10(12(16)17)13-5-6-14-11/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid?
3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid is sourced from PubChem (CID 65469620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).