tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C16H28N4O3 — CID 103398323

IUPACtert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC(=O)N2CCCCC2)C1
InChIInChI=1S/C16H28N4O3/c1-16(2,3)23-15(22)20-10-7-17-13(12-20)18-11-14(21)19-8-5-4-6-9-19/h4-12H2,1-3H3,(H,17,18)
InChIKeyDZMVEMKLQRTBOJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.24
Rot. Bonds2

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

tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398323) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398323
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC(=O)N2CCCCC2)C1
InChIInChI=1S/C16H28N4O3/c1-16(2,3)23-15(22)20-10-7-17-13(12-20)18-11-14(21)19-8-5-4-6-9-19/h4-12H2,1-3H3,(H,17,18)
InChIKeyDZMVEMKLQRTBOJ-UHFFFAOYSA-N
XLogP1.24
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate with MolForge

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Related Compounds

Tert-butyl [1-(3-oxo-3,4-dihydropyrazin-2-yl)piperidin-3-yl]carbamate
CID 91809708
Tert-butyl [1-(4-methyl-3-oxo-3,4-dihydropyrazin-2-yl)piperidin-3-yl]carbamate
CID 91809715
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733
tert-butyl N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817734
tert-butyl N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate
CID 100069772
tert-butyl N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate
CID 100069775
tert-butyl 6-[(2-amino-2-oxoethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397857
tert-butyl 6-(pentylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397870
tert-butyl 6-[[2-(methylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397910
tert-butyl 6-[[2-(dimethylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397911
tert-butyl 6-[(1-methylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397916
tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397934

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398323) is tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCC(=O)N2CCCCC2)C1.
What is the InChIKey of tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is DZMVEMKLQRTBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-16(2,3)23-15(22)20-10-7-17-13(12-20)18-11-14(21)19-8-5-4-6-9-19/h4-12H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 324.43 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).