ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate

C16H22N6O3S — CID 45236696

IUPACethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nc3nonc3nc2N2CCSCC2)C1
InChIInChI=1S/C16H22N6O3S/c1-2-24-16(23)11-4-3-5-22(10-11)15-14(21-6-8-26-9-7-21)17-12-13(18-15)20-25-19-12/h11H,2-10H2,1H3
InChIKeyODWHKVXFCRSXFO-UHFFFAOYSA-N
MW378.46 g/mol
LogP1.35
Rot. Bonds4

About ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate

ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate (PubChem CID 45236696) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
PubChem CID45236696
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Nameethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nc3nonc3nc2N2CCSCC2)C1
InChIInChI=1S/C16H22N6O3S/c1-2-24-16(23)11-4-3-5-22(10-11)15-14(21-6-8-26-9-7-21)17-12-13(18-15)20-25-19-12/h11H,2-10H2,1H3
InChIKeyODWHKVXFCRSXFO-UHFFFAOYSA-N
XLogP1.35
TPSA97.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 51904879
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 65168577
6-(azepan-1-yl)-5-[(3R)-3-methoxypiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 25451422
ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 91965516
ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113371227
ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate
CID 99636617
ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
CID 65208891
ethyl (3S)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 133492847
N-[[(3R)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide
CID 25277232
ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylate
CID 65275419

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate (CID 45236696) is ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2nc3nonc3nc2N2CCSCC2)C1.
What is the InChIKey of ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate?
The InChIKey is ODWHKVXFCRSXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c1-2-24-16(23)11-4-3-5-22(10-11)15-14(21-6-8-26-9-7-21)17-12-13(18-15)20-25-19-12/h11H,2-10H2,1H3.
What are the key properties of ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate?
ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate has a molecular weight of 378.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate is sourced from PubChem (CID 45236696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).