methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate

C11H16N4O2 — CID 59383095

IUPACmethyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC2CCNCC2)cn1
InChIInChI=1S/C11H16N4O2/c1-17-11(16)9-6-14-10(7-13-9)15-8-2-4-12-5-3-8/h6-8,12H,2-5H2,1H3,(H,14,15)
InChIKeyXHDYDTKWBKFSDY-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.43
Rot. Bonds3

About methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate

methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate (PubChem CID 59383095) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate
PubChem CID59383095
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Namemethyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC2CCNCC2)cn1
InChIInChI=1S/C11H16N4O2/c1-17-11(16)9-6-14-10(7-13-9)15-8-2-4-12-5-3-8/h6-8,12H,2-5H2,1H3,(H,14,15)
InChIKeyXHDYDTKWBKFSDY-UHFFFAOYSA-N
XLogP0.43
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate (CID 59383095) is methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate is COC(=O)c1cnc(NC2CCNCC2)cn1.
What is the InChIKey of methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate?
The InChIKey is XHDYDTKWBKFSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-11(16)9-6-14-10(7-13-9)15-8-2-4-12-5-3-8/h6-8,12H,2-5H2,1H3,(H,14,15).
What are the key properties of methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate?
methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 59383095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).