3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

C15H13ClN4O2S — CID 100650696

IUPAC3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C15H13ClN4O2S/c16-13-4-3-12(23-13)15(21)20-7-1-2-10(9-20)22-14-11(8-17)18-5-6-19-14/h3-6,10H,1-2,7,9H2/t10-/m0/s1
InChIKeyAMNBKZFURPGLKT-JTQLQIEISA-N
MW348.82 g/mol
LogP2.75
Rot. Bonds3

About 3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100650696) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is 3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100650696
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC Name3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C15H13ClN4O2S/c16-13-4-3-12(23-13)15(21)20-7-1-2-10(9-20)22-14-11(8-17)18-5-6-19-14/h3-6,10H,1-2,7,9H2/t10-/m0/s1
InChIKeyAMNBKZFURPGLKT-JTQLQIEISA-N
XLogP2.75
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650587
3-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627978
3-[1-(4-chlorobutanoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 117054781
3-[(3R)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100648935
3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627966
3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650467
3-[1-(6-ethoxypyridine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628047
3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628045
3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628030
3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628023
3-[(3S)-1-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650116
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (CID 100650696) is 3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is AMNBKZFURPGLKT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c16-13-4-3-12(23-13)15(21)20-7-1-2-10(9-20)22-14-11(8-17)18-5-6-19-14/h3-6,10H,1-2,7,9H2/t10-/m0/s1.
What are the key properties of 3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 348.82 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100650696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).