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

C14H22N4O4 — CID 103398237

IUPACtert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCC(=O)NC2=O)C1
InChIInChI=1S/C14H22N4O4/c1-14(2,3)22-13(21)18-7-6-15-10(8-18)16-9-4-5-11(19)17-12(9)20/h9H,4-8H2,1-3H3,(H,15,16)(H,17,19,20)
InChIKeyQTCYDEPXYRUPAS-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.03
Rot. Bonds1

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

tert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398237) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is tert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398237
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Nametert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCC(=O)NC2=O)C1
InChIInChI=1S/C14H22N4O4/c1-14(2,3)22-13(21)18-7-6-15-10(8-18)16-9-4-5-11(19)17-12(9)20/h9H,4-8H2,1-3H3,(H,15,16)(H,17,19,20)
InChIKeyQTCYDEPXYRUPAS-UHFFFAOYSA-N
XLogP0.03
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 6-[(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-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398238
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-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398237) is tert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NC2CCC(=O)NC2=O)C1.
What is the InChIKey of tert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is QTCYDEPXYRUPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-14(2,3)22-13(21)18-7-6-15-10(8-18)16-9-4-5-11(19)17-12(9)20/h9H,4-8H2,1-3H3,(H,15,16)(H,17,19,20).
What are the key properties of tert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).