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

C15H24N4O4 — CID 103398238

IUPACtert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1C(=O)CCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C15H24N4O4/c1-15(2,3)23-14(22)19-8-7-16-11(9-19)17-10-5-6-12(20)18(4)13(10)21/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyAQOSYNVVHHKOSF-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.37
Rot. Bonds1

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

tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398238) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398238
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Nametert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1C(=O)CCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C15H24N4O4/c1-15(2,3)23-14(22)19-8-7-16-11(9-19)17-10-5-6-12(20)18(4)13(10)21/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyAQOSYNVVHHKOSF-UHFFFAOYSA-N
XLogP0.37
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate with MolForge

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Related Compounds

Tert-butyl 2-(acetamidomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 57908090
tert-butyl N-[(2S)-5-(1-aminoethylideneamino)-1-oxo-1-(piperidin-2-ylmethylamino)pentan-2-yl]carbamate
CID 89210204
Tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate
CID 91084618
1-Methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidine-2,6-dione
CID 79504006
tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398100
tert-butyl 6-[(6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398156
tert-butyl 6-[(5-oxopyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398190
tert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398204
tert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398237
tert-butyl 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398323
tert-butyl 6-[(5-amino-5-oxopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106238613

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398238) is tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CN1C(=O)CCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1=O.
What is the InChIKey of tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is AQOSYNVVHHKOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-15(2,3)23-14(22)19-8-7-16-11(9-19)17-10-5-6-12(20)18(4)13(10)21/h10H,5-9H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).