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

C16H22N6O3 — CID 51904879

IUPACethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(c2nc3nonc3nc2N2CCCC2)C1
InChIInChI=1S/C16H22N6O3/c1-2-24-16(23)11-6-5-9-22(10-11)15-14(21-7-3-4-8-21)17-12-13(18-15)20-25-19-12/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyBNBKRDLPOGUDDK-NSHDSACASA-N
MW346.39 g/mol
LogP1.39
Rot. Bonds4

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

ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate (PubChem CID 51904879) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
PubChem CID51904879
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Nameethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(c2nc3nonc3nc2N2CCCC2)C1
InChIInChI=1S/C16H22N6O3/c1-2-24-16(23)11-6-5-9-22(10-11)15-14(21-7-3-4-8-21)17-12-13(18-15)20-25-19-12/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyBNBKRDLPOGUDDK-NSHDSACASA-N
XLogP1.39
TPSA97.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

ethyl 1-(6-thiomorpholin-4-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 45236696
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 (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
N-[[(3R)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide
CID 25277232
N-[[(3S)-1-[6-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-3-yl]methyl]acetamide
CID 25277231
ethyl 1-phthalazin-1-ylpiperidine-3-carboxylate
CID 60631772
ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 91965516
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate (CID 51904879) is ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(c2nc3nonc3nc2N2CCCC2)C1.
What is the InChIKey of ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate?
The InChIKey is BNBKRDLPOGUDDK-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N6O3/c1-2-24-16(23)11-6-5-9-22(10-11)15-14(21-7-3-4-8-21)17-12-13(18-15)20-25-19-12/h11H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate?
ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate is sourced from PubChem (CID 51904879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).