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

C12H17N3O3 — CID 71648421

IUPAC1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCOc1nccnc1CN1CCCCC1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-18-11-9(13-5-6-14-11)8-15-7-3-2-4-10(15)12(16)17/h5-6,10H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyIHQCISSXIKLVTN-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.92
Rot. Bonds4

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

1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 71648421) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid
PubChem CID71648421
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCOc1nccnc1CN1CCCCC1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-18-11-9(13-5-6-14-11)8-15-7-3-2-4-10(15)12(16)17/h5-6,10H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyIHQCISSXIKLVTN-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(3-chloropyrazin-2-yl)methyl]piperidine-2-carboxylic acid
CID 97169176
(2R)-1-[(3-methoxypyrazin-2-yl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 97168277
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
1-[(1-ethylimidazol-2-yl)methyl]azocane-2-carboxylic acid
CID 114239952
1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3567372
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3265139
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040420
1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid
CID 122040364

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid (CID 71648421) is 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid is COc1nccnc1CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is IHQCISSXIKLVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-11-9(13-5-6-14-11)8-15-7-3-2-4-10(15)12(16)17/h5-6,10H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid?
1-[(3-methoxypyrazin-2-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.92, 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-2-carboxylic acid is sourced from PubChem (CID 71648421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).