methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate

C12H14N4O2 — CID 115534569

IUPACmethyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nccnc1C#N
InChIInChI=1S/C12H14N4O2/c1-18-12(17)10-4-2-3-7-16(10)11-9(8-13)14-5-6-15-11/h5-6,10H,2-4,7H2,1H3
InChIKeyYLADHJMPLIKROL-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.88
Rot. Bonds2

About methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate

methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate (PubChem CID 115534569) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
PubChem CID115534569
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1nccnc1C#N
InChIInChI=1S/C12H14N4O2/c1-18-12(17)10-4-2-3-7-16(10)11-9(8-13)14-5-6-15-11/h5-6,10H,2-4,7H2,1H3
InChIKeyYLADHJMPLIKROL-UHFFFAOYSA-N
XLogP0.88
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-(3-cyanopyrazin-2-yl)piperidine-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

methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
methyl 1-(4-cyanophenyl)piperidine-2-carboxylate
CID 113330492
methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate
CID 115538281
methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate
CID 112676429
methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate
CID 113446554
methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate
CID 104733431
3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 62685715
methyl 1-(4-cyano-2,6-difluorophenyl)piperidine-2-carboxylate
CID 115534551
methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate
CID 15546272
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
methyl 1-(5-cyano-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 103473181
methyl (2S)-1-(2-cyanopyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 134845489

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate (CID 115534569) is methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1nccnc1C#N.
What is the InChIKey of methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate?
The InChIKey is YLADHJMPLIKROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-12(17)10-4-2-3-7-16(10)11-9(8-13)14-5-6-15-11/h5-6,10H,2-4,7H2,1H3.
What are the key properties of methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate?
methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115534569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).