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

C15H26N4O3 — CID 103398204

IUPACtert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1CC(NC2=NCCN(C(=O)OC(C)(C)C)C2)CCC1=O
InChIInChI=1S/C15H26N4O3/c1-15(2,3)22-14(21)19-8-7-16-12(10-19)17-11-5-6-13(20)18(4)9-11/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyGDTIRVSZKAZWMY-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.85
Rot. Bonds1

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

tert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398204) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398204
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN1CC(NC2=NCCN(C(=O)OC(C)(C)C)C2)CCC1=O
InChIInChI=1S/C15H26N4O3/c1-15(2,3)22-14(21)19-8-7-16-12(10-19)17-11-5-6-13(20)18(4)9-11/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyGDTIRVSZKAZWMY-UHFFFAOYSA-N
XLogP0.85
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[(1-methyl-6-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-(acetamidomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 57908090
Tert-butyl 2-(aminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 57908096
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 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
1-Methyl-5-(2,3,4,5-tetrahydropyridin-6-ylamino)piperidin-2-one
CID 79504365
tert-butyl 6-[(1-methylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397916
tert-butyl 6-[(4-amino-4-oxobutyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397950
tert-butyl 6-(2-piperidin-1-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397975
tert-butyl 6-[(1-ethylpiperidin-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397993
tert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397996

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398204) is tert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CN1CC(NC2=NCCN(C(=O)OC(C)(C)C)C2)CCC1=O.
What is the InChIKey of tert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is GDTIRVSZKAZWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-15(2,3)22-14(21)19-8-7-16-12(10-19)17-11-5-6-13(20)18(4)9-11/h11H,5-10H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 0.85, 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-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).