3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

C16H16N4O2S — CID 91628045

IUPAC3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C16H16N4O2S/c17-9-14-16(19-5-4-18-14)22-13-2-1-6-20(10-13)15(21)8-12-3-7-23-11-12/h3-5,7,11,13H,1-2,6,8,10H2
InChIKeyWSNUNBCYZWWSJH-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.02
Rot. Bonds4

About 3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 91628045) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID91628045
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCCN(C(=O)Cc2ccsc2)C1
InChIInChI=1S/C16H16N4O2S/c17-9-14-16(19-5-4-18-14)22-13-2-1-6-20(10-13)15(21)8-12-3-7-23-11-12/h3-5,7,11,13H,1-2,6,8,10H2
InChIKeyWSNUNBCYZWWSJH-UHFFFAOYSA-N
XLogP2.02
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-1-(2-thiophen-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755466
3-[1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627990
3-[(3S)-1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649784
3-[1-(4-chlorobutanoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 117054781
3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628030
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636665
3-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626818
3-[1-[2-(4-nitrophenyl)acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636574
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 122268217
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 122257996
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478
1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 100643060

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (CID 91628045) is 3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCCN(C(=O)Cc2ccsc2)C1.
What is the InChIKey of 3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is WSNUNBCYZWWSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c17-9-14-16(19-5-4-18-14)22-13-2-1-6-20(10-13)15(21)8-12-3-7-23-11-12/h3-5,7,11,13H,1-2,6,8,10H2.
What are the key properties of 3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 328.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91628045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).