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

C16H30N4O2 — CID 103397996

IUPACtert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN1CCCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C16H30N4O2/c1-5-19-9-6-7-13(11-19)18-14-12-20(10-8-17-14)15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyZPXNRGOSBGOZLR-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.71
Rot. Bonds2

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

tert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397996) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397996
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Nametert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN1CCCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C16H30N4O2/c1-5-19-9-6-7-13(11-19)18-14-12-20(10-8-17-14)15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyZPXNRGOSBGOZLR-UHFFFAOYSA-N
XLogP1.71
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 5-(2,4,4-trimethylpentan-2-ylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
CID 23624340
tert-butyl (3S,5S)-3-[(N,N'-dimethylcarbamimidoyl)amino]-5-fluoropiperidine-1-carboxylate
CID 167069667
tert-butyl (3S,5S)-3-[(N-ethyl-N'-methylcarbamimidoyl)amino]-5-fluoropiperidine-1-carboxylate
CID 167069688
tert-butyl (3S,5S)-3-fluoro-5-[(N'-methylcarbamimidoyl)amino]piperidine-1-carboxylate
CID 167070975
tert-butyl (3S)-3-[[N-(1-fluoroethyl)-N,N'-dimethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 169877148
tert-butyl N-[1-[C-(1-amino-1-fluoroethyl)-N-ethylcarbonimidoyl]piperidin-4-yl]carbamate
CID 170121057
tert-butyl 4-[C-methyl-N-[N'-(1-methylpiperidin-4-yl)-N-(1,1,1-trifluoropropan-2-yl)carbamimidoyl]carbonimidoyl]piperazine-1-carboxylate
CID 173815058
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
tert-butyl 3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66786184
tert-butyl (3R)-3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66786185
Tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate
CID 71047050
Tert-butyl 4-[(6-imino-7-propyl-2,3-dihydro-1,4-diazepin-5-yl)amino]piperidine-1-carboxylate
CID 91459698

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397996) is tert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCN1CCCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is ZPXNRGOSBGOZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-5-19-9-6-7-13(11-19)18-14-12-20(10-8-17-14)15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-ethylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).