methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate

C14H22N4O2 — CID 79719385

IUPACmethyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate
SMILESCCN(CC1CCNCC1)c1cncc(C(=O)OC)n1
InChIInChI=1S/C14H22N4O2/c1-3-18(10-11-4-6-15-7-5-11)13-9-16-8-12(17-13)14(19)20-2/h8-9,11,15H,3-7,10H2,1-2H3
InChIKeyJVJUAQLEGAYHHJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.09
Rot. Bonds5

About methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate

methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate (PubChem CID 79719385) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate
PubChem CID79719385
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate
SMILESCCN(CC1CCNCC1)c1cncc(C(=O)OC)n1
InChIInChI=1S/C14H22N4O2/c1-3-18(10-11-4-6-15-7-5-11)13-9-16-8-12(17-13)14(19)20-2/h8-9,11,15H,3-7,10H2,1-2H3
InChIKeyJVJUAQLEGAYHHJ-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
CID 79390457
methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114900602
methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate
CID 102994007
methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate
CID 66456232
methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate
CID 66458156
methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate
CID 66451088
[6-[cyclopropylmethyl(ethyl)amino]pyrazin-2-yl]methanol
CID 66466162
methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
CID 66455769
methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66456988
methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
CID 66456064
methyl 6-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboxylate
CID 66449281
methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854

Frequently Asked Questions

What is the IUPAC name of methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate (CID 79719385) is methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate is CCN(CC1CCNCC1)c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate?
The InChIKey is JVJUAQLEGAYHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18(10-11-4-6-15-7-5-11)13-9-16-8-12(17-13)14(19)20-2/h8-9,11,15H,3-7,10H2,1-2H3.
What are the key properties of methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate?
methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 79719385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).