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

C14H24N4O3 — CID 103398100

IUPACtert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCCNC2=O)C1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)21-13(20)18-8-7-15-11(9-18)17-10-5-4-6-16-12(10)19/h10H,4-9H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyDDTUVEMLUVUMAU-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.50
Rot. Bonds1

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

tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398100) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398100
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nametert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCCNC2=O)C1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)21-13(20)18-8-7-15-11(9-18)17-10-5-4-6-16-12(10)19/h10H,4-9H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyDDTUVEMLUVUMAU-UHFFFAOYSA-N
XLogP0.50
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

Tert-butyl 2-(aminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 57908096
N'-[3-(1-methyl-3-oxo-5-propanoylpiperazin-2-yl)propyl]ethanimidamide
CID 58488894
Tert-butyl 4-(2-methyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
CID 59279763
tert-Butyl 2-methyl-4-oxo-1,3,7-triazaspiro[4.5]dec-1-ene-7-carboxylate
CID 59373656
N'-[3-[(2S)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
CID 59883636
N'-[3-[(2S)-3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
CID 59883664
tert-butyl N-[(2S)-5-(1-aminoethylideneamino)-1-oxo-1-(piperidin-2-ylmethylamino)pentan-2-yl]carbamate
CID 89210204
tert-butyl 4-[5-[(N'-methylcarbamimidoyl)amino]pentanoyl]piperazine-1-carboxylate
CID 90995947
Tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate
CID 91084618
N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide
CID 134447800
tert-butyl N-[(2S)-1-amino-5-[[amino(dimethylamino)methylidene]amino]-1-oxopentan-2-yl]carbamate
CID 156357598
N'-[3-[(2S)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide;hydrochloride
CID 161273072

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398100) is tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NC2CCCNC2=O)C1.
What is the InChIKey of tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is DDTUVEMLUVUMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2,3)21-13(20)18-8-7-15-11(9-18)17-10-5-4-6-16-12(10)19/h10H,4-9H2,1-3H3,(H,15,17)(H,16,19).
What are the key properties of tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).