1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid

C12H17N3O3 — CID 114278501

IUPAC1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid
SMILESCOc1cncc(N2CCC(C(=O)O)C(C)C2)n1
InChIInChI=1S/C12H17N3O3/c1-8-7-15(4-3-9(8)12(16)17)10-5-13-6-11(14-10)18-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeySOTDCCXIHNNVCR-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.03
Rot. Bonds3

About 1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid

1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid (PubChem CID 114278501) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid
PubChem CID114278501
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid
SMILESCOc1cncc(N2CCC(C(=O)O)C(C)C2)n1
InChIInChI=1S/C12H17N3O3/c1-8-7-15(4-3-9(8)12(16)17)10-5-13-6-11(14-10)18-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeySOTDCCXIHNNVCR-UHFFFAOYSA-N
XLogP1.03
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-4-(6-methoxypyrazin-2-yl)-2-methylpiperazine-1-carboxylate
CID 70278173
2-[4-(6-methoxypyrazin-2-yl)morpholin-2-yl]acetic acid
CID 66433439
6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 114678867
1-[6-(2-hydroxyethoxy)pyrazin-2-yl]-3-methylpiperidin-4-ol
CID 133498606
2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262868
2-(3-chloro-4-methylpiperidin-1-yl)-6-ethoxypyrazine
CID 102960945
N-(cyclopropylmethyl)-1-(6-methoxypyrazin-2-yl)piperidin-4-amine
CID 115307442
[1-(6-methoxypyrazin-2-yl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 134522244
2-(4-cyclohexylpiperazin-1-yl)-6-methoxypyrazine
CID 171701805
2-[4-(2-chloroethoxy)piperidin-1-yl]-6-methoxypyrazine
CID 82701379
N-ethyl-1-(6-methoxypyrazin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71922412
methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
CID 115538354

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid (CID 114278501) is 1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid is COc1cncc(N2CCC(C(=O)O)C(C)C2)n1.
What is the InChIKey of 1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid?
The InChIKey is SOTDCCXIHNNVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-7-15(4-3-9(8)12(16)17)10-5-13-6-11(14-10)18-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid?
1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114278501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).