ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate

C19H30N4O4 — CID 134183237

IUPACethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)nc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H30N4O4/c1-7-26-16(24)14-15(21-13(2)12-20-14)23-10-8-19(6,9-11-23)22-17(25)27-18(3,4)5/h12H,7-11H2,1-6H3,(H,22,25)
InChIKeySDLLKCNQNSJTBF-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.85
Rot. Bonds4

About ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate

ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate (PubChem CID 134183237) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate
PubChem CID134183237
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Nameethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)nc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H30N4O4/c1-7-26-16(24)14-15(21-13(2)12-20-14)23-10-8-19(6,9-11-23)22-17(25)27-18(3,4)5/h12H,7-11H2,1-6H3,(H,22,25)
InChIKeySDLLKCNQNSJTBF-UHFFFAOYSA-N
XLogP2.85
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate (CID 134183237) is ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate is CCOC(=O)c1ncc(C)nc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is SDLLKCNQNSJTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-7-26-16(24)14-15(21-13(2)12-20-14)23-10-8-19(6,9-11-23)22-17(25)27-18(3,4)5/h12H,7-11H2,1-6H3,(H,22,25).
What are the key properties of ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate?
ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 134183237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).