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

C11H17ClN4O2 — CID 172829952

IUPACmethyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(NC2CCNCC2)cn1.Cl
InChIInChI=1S/C11H16N4O2.ClH/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);1H
InChIKeyVJMNIPAPYLWDQD-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.85
Rot. Bonds3

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

methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride (PubChem CID 172829952) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride
PubChem CID172829952
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Namemethyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cnc(NC2CCNCC2)cn1.Cl
InChIInChI=1S/C11H16N4O2.ClH/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);1H
InChIKeyVJMNIPAPYLWDQD-UHFFFAOYSA-N
XLogP0.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(3-methoxycyclopentyl)amino]pyrazine-2-carboxylate
CID 114118099
methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
CID 67218078
methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate
CID 83841955
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594
methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
CID 66455769
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555
N-(azepan-4-yl)-5-[[(3S,5S)-5-methoxypiperidin-3-yl]amino]-N-methylpyrazine-2-carboxamide
CID 167749260
methyl 5-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67401247
methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271897
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884

Frequently Asked Questions

What is the IUPAC name of methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride (CID 172829952) is methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride is COC(=O)c1cnc(NC2CCNCC2)cn1.Cl.
What is the InChIKey of methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride?
The InChIKey is VJMNIPAPYLWDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2.ClH/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);1H.
What are the key properties of methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride?
methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride has a molecular weight of 272.74 g/mol, XLogP of 0.85, 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;hydrochloride is sourced from PubChem (CID 172829952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).