ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate

C16H21N5O2 — CID 99636618

IUPACethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(c2cncc(-n3ccnc3C)n2)C1
InChIInChI=1S/C16H21N5O2/c1-3-23-16(22)13-5-4-7-20(11-13)14-9-17-10-15(19-14)21-8-6-18-12(21)2/h6,8-10,13H,3-5,7,11H2,1-2H3/t13-/m1/s1
InChIKeyDTTKGMQOHFKFHO-CYBMUJFWSA-N
MW315.38 g/mol
LogP1.75
Rot. Bonds4

About ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate

ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate (PubChem CID 99636618) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate
PubChem CID99636618
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Nameethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(c2cncc(-n3ccnc3C)n2)C1
InChIInChI=1S/C16H21N5O2/c1-3-23-16(22)13-5-4-7-20(11-13)14-9-17-10-15(19-14)21-8-6-18-12(21)2/h6,8-10,13H,3-5,7,11H2,1-2H3/t13-/m1/s1
InChIKeyDTTKGMQOHFKFHO-CYBMUJFWSA-N
XLogP1.75
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylimidazol-1-yl)-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyrazine
CID 133447374
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
ethyl (3R)-1-(4,5-dichloropyrimidin-2-yl)piperidine-3-carboxylate
CID 135137910
5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97340628
ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate
CID 169213809
ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 4737359
cyclopentyl-[3-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110253502
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
[2-(3-ethoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
CID 142400989
ethyl (3S)-1-(2-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 129499368
ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 60651536

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate (CID 99636618) is ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(c2cncc(-n3ccnc3C)n2)C1.
What is the InChIKey of ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate?
The InChIKey is DTTKGMQOHFKFHO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-23-16(22)13-5-4-7-20(11-13)14-9-17-10-15(19-14)21-8-6-18-12(21)2/h6,8-10,13H,3-5,7,11H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate?
ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate has a molecular weight of 315.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 99636618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).