methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate

C12H17N3O3 — CID 115538354

IUPACmethyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1cncc(OC)n1
InChIInChI=1S/C12H17N3O3/c1-17-11-8-13-7-10(14-11)15-6-4-3-5-9(15)12(16)18-2/h7-9H,3-6H2,1-2H3
InChIKeyZYPRWKTZYHAZQE-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.02
Rot. Bonds3

About methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate

methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate (PubChem CID 115538354) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
PubChem CID115538354
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1cncc(OC)n1
InChIInChI=1S/C12H17N3O3/c1-17-11-8-13-7-10(14-11)15-6-4-3-5-9(15)12(16)18-2/h7-9H,3-6H2,1-2H3
InChIKeyZYPRWKTZYHAZQE-UHFFFAOYSA-N
XLogP1.02
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538367
methyl (2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylate
CID 96706526
methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351
methyl 1-(6,7-difluoroquinoxalin-2-yl)pyrrolidine-2-carboxylate
CID 102562210
methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
CID 96706511
methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 146387890
methyl (2S)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 99857386
methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate
CID 115538245
methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate
CID 15546272
methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538300

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate (CID 115538354) is methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1cncc(OC)n1.
What is the InChIKey of methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate?
The InChIKey is ZYPRWKTZYHAZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-11-8-13-7-10(14-11)15-6-4-3-5-9(15)12(16)18-2/h7-9H,3-6H2,1-2H3.
What are the key properties of methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate?
methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115538354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).