tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate

C18H30N4O3 — CID 142165471

IUPACtert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCCc1cnc(NCC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)n1
InChIInChI=1S/C18H30N4O3/c1-6-14-12-20-15(16(21-14)24-5)19-11-13-7-9-22(10-8-13)17(23)25-18(2,3)4/h12-13H,6-11H2,1-5H3,(H,19,20)
InChIKeyQKUCCAGRQHLCST-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.11
Rot. Bonds5

About tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 142165471) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate
PubChem CID142165471
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Nametert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCCc1cnc(NCC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)n1
InChIInChI=1S/C18H30N4O3/c1-6-14-12-20-15(16(21-14)24-5)19-11-13-7-9-22(10-8-13)17(23)25-18(2,3)4/h12-13H,6-11H2,1-5H3,(H,19,20)
InChIKeyQKUCCAGRQHLCST-UHFFFAOYSA-N
XLogP3.11
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate (CID 142165471) is tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate is CCc1cnc(NCC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)n1.
What is the InChIKey of tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is QKUCCAGRQHLCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-6-14-12-20-15(16(21-14)24-5)19-11-13-7-9-22(10-8-13)17(23)25-18(2,3)4/h12-13H,6-11H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(5-ethyl-3-methoxypyrazin-2-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 142165471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).