methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate

C16H24N4O4 — CID 168758594

IUPACmethyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C16H24N4O4/c1-16(2,3)24-15(22)20-7-5-11(6-8-20)19-13-10-17-12(9-18-13)14(21)23-4/h9-11H,5-8H2,1-4H3,(H,18,19)
InChIKeyWCGIXKMOMKCSKU-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.07
Rot. Bonds3

About methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate

methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate (PubChem CID 168758594) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
PubChem CID168758594
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Namemethyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C16H24N4O4/c1-16(2,3)24-15(22)20-7-5-11(6-8-20)19-13-10-17-12(9-18-13)14(21)23-4/h9-11H,5-8H2,1-4H3,(H,18,19)
InChIKeyWCGIXKMOMKCSKU-UHFFFAOYSA-N
XLogP2.07
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
CID 67218078
tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 175109329
methyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 166070921
tert-butyl 5-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]pyrazine-2-carboxylate
CID 100672357
tert-butyl 4-[(5-chloro-4-iodo-2-pyridinyl)amino]piperidine-1-carboxylate
CID 66936969
tert-butyl 5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pyrazine-2-carboxylate
CID 119037503
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 155098015
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629441
tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 121204750
tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849465

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate (CID 168758594) is methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate is COC(=O)c1cnc(NC2CCN(C(=O)OC(C)(C)C)CC2)cn1.
What is the InChIKey of methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate?
The InChIKey is WCGIXKMOMKCSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-16(2,3)24-15(22)20-7-5-11(6-8-20)19-13-10-17-12(9-18-13)14(21)23-4/h9-11H,5-8H2,1-4H3,(H,18,19).
What are the key properties of methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate?
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 168758594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).