tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate

C17H26N4O3 — CID 126839345

IUPACtert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate
SMILESCC1CN(C(=O)c2nccnc2C(=O)OC(C)(C)C)C(C)CN1C
InChIInChI=1S/C17H26N4O3/c1-11-10-21(12(2)9-20(11)6)15(22)13-14(19-8-7-18-13)16(23)24-17(3,4)5/h7-8,11-12H,9-10H2,1-6H3
InChIKeyAHFSOIUCYYJBHI-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.60
Rot. Bonds2

About tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate

tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate (PubChem CID 126839345) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate
PubChem CID126839345
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate
SMILESCC1CN(C(=O)c2nccnc2C(=O)OC(C)(C)C)C(C)CN1C
InChIInChI=1S/C17H26N4O3/c1-11-10-21(12(2)9-20(11)6)15(22)13-14(19-8-7-18-13)16(23)24-17(3,4)5/h7-8,11-12H,9-10H2,1-6H3
InChIKeyAHFSOIUCYYJBHI-UHFFFAOYSA-N
XLogP1.60
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-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 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 59406986
4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(3-methylpyrazine-2-carbonyl)piperazine-2-carboxylic acid
CID 167857436
tert-butyl (2S)-4-(3-chloropropyl)-2,5-dimethylpiperazine-1-carboxylate
CID 89173836
tert-butyl (2S)-4-[(2-methoxycarbonyl-3-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate
CID 170906766
tert-butyl (2R,5S)-4-chloro-2,5-dimethylpiperazine-1-carboxylate
CID 86683704
tert-butyl 3,5-dimethyl-4-(9-methylpurin-6-yl)piperazine-1-carboxylate
CID 160775110
tert-butyl 2-methyl-4-(2-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 89484186
tert-butyl (2S)-2-methyl-4-(2-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 134500707
tert-butyl 4-(2-chloro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 87693783
tert-butyl (2R)-4-(2-chloropyridine-3-carbonyl)-2-methylpiperazine-1-carboxylate
CID 86331566
tert-butyl 4-(5-cyclopropylpyrimidin-2-yl)-3,5-dimethylpiperazine-1-carboxylate
CID 172678363
tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate
CID 66570422

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate?
The IUPAC name of tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate (CID 126839345) is tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate?
The canonical SMILES for tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate is CC1CN(C(=O)c2nccnc2C(=O)OC(C)(C)C)C(C)CN1C.
What is the InChIKey of tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate?
The InChIKey is AHFSOIUCYYJBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11-10-21(12(2)9-20(11)6)15(22)13-14(19-8-7-18-13)16(23)24-17(3,4)5/h7-8,11-12H,9-10H2,1-6H3.
What are the key properties of tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate?
tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate is sourced from PubChem (CID 126839345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).