methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate

C13H19N3O2 — CID 114059784

IUPACmethyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCCC(C)C2C)cn1
InChIInChI=1S/C13H19N3O2/c1-9-5-4-6-16(10(9)2)12-8-14-11(7-15-12)13(17)18-3/h7-10H,4-6H2,1-3H3
InChIKeyRRGDTHSGYCBVOS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.89
Rot. Bonds2

About methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate

methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate (PubChem CID 114059784) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate
PubChem CID114059784
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCCC(C)C2C)cn1
InChIInChI=1S/C13H19N3O2/c1-9-5-4-6-16(10(9)2)12-8-14-11(7-15-12)13(17)18-3/h7-10H,4-6H2,1-3H3
InChIKeyRRGDTHSGYCBVOS-UHFFFAOYSA-N
XLogP1.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate
CID 114059865
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
methyl 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrazine-2-carboxylate
CID 114059771
methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
CID 166507892
methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059884
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
methyl 5-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylate
CID 114059785
methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059854
5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054898
methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate
CID 133492503
N-[[5-chloro-2-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114924844
5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 122048062

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate (CID 114059784) is methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cnc(N2CCCC(C)C2C)cn1.
What is the InChIKey of methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is RRGDTHSGYCBVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-5-4-6-16(10(9)2)12-8-14-11(7-15-12)13(17)18-3/h7-10H,4-6H2,1-3H3.
What are the key properties of methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate?
methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 114059784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).