methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate

C14H22N4O2 — CID 164633592

IUPACmethyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate
SMILESCCN1CCCC[C@@H]1CNc1cnc(C(=O)OC)cn1
InChIInChI=1S/C14H22N4O2/c1-3-18-7-5-4-6-11(18)8-16-13-10-15-12(9-17-13)14(19)20-2/h9-11H,3-8H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyIZDFHCPCBCONTQ-LLVKDONJSA-N
MW278.36 g/mol
LogP1.55
Rot. Bonds5

About methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate

methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate (PubChem CID 164633592) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate
PubChem CID164633592
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate
SMILESCCN1CCCC[C@@H]1CNc1cnc(C(=O)OC)cn1
InChIInChI=1S/C14H22N4O2/c1-3-18-7-5-4-6-11(18)8-16-13-10-15-12(9-17-13)14(19)20-2/h9-11H,3-8H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyIZDFHCPCBCONTQ-LLVKDONJSA-N
XLogP1.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate (CID 164633592) is methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate is CCN1CCCC[C@@H]1CNc1cnc(C(=O)OC)cn1.
What is the InChIKey of methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate?
The InChIKey is IZDFHCPCBCONTQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18-7-5-4-6-11(18)8-16-13-10-15-12(9-17-13)14(19)20-2/h9-11H,3-8H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate?
methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2R)-1-ethylpiperidin-2-yl]methylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 164633592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).