tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C15H28N4O2 — CID 103398002

IUPACtert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1CCCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H28N4O2/c1-15(2,3)21-14(20)19-9-7-16-13(11-19)17-12-6-5-8-18(4)10-12/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyBUNCZGPABLJZBY-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.32
Rot. Bonds1

About tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398002) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398002
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Nametert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1CCCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C15H28N4O2/c1-15(2,3)21-14(20)19-9-7-16-13(11-19)17-12-6-5-8-18(4)10-12/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyBUNCZGPABLJZBY-UHFFFAOYSA-N
XLogP1.32
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398002) is tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CN1CCCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is BUNCZGPABLJZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-15(2,3)21-14(20)19-9-7-16-13(11-19)17-12-6-5-8-18(4)10-12/h12H,5-11H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).