1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid

C12H17N3O3 — CID 71648413

IUPAC1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid
SMILESCOc1nccnc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C12H17N3O3/c1-18-11-10(13-4-5-14-11)8-15-6-2-3-9(7-15)12(16)17/h4-5,9H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyXCGRNBLLJVXRTK-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.78
Rot. Bonds4

About 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid

1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 71648413) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid
PubChem CID71648413
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid
SMILESCOc1nccnc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C12H17N3O3/c1-18-11-10(13-4-5-14-11)8-15-6-2-3-9(7-15)12(16)17/h4-5,9H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyXCGRNBLLJVXRTK-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methoxypyrazin-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71642744
1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid
CID 71648421
[1-[(3-methoxypyrazin-2-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 71642940
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 112550259
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 65053978
2-methoxy-3-[[(3S)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 97164844
1-(methoxymethyl)piperidine-3-carboxylic acid
CID 67043579
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 63032394
1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 5235973
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
1-[(2-ethyl-4,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 166303450

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid (CID 71648413) is 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid is COc1nccnc1CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is XCGRNBLLJVXRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-11-10(13-4-5-14-11)8-15-6-2-3-9(7-15)12(16)17/h4-5,9H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid?
1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 71648413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).