2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile

C16H15N3O2S — CID 71799031

IUPAC2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C16H15N3O2S/c17-10-12-2-1-6-18-15(12)21-14-3-7-19(8-4-14)16(20)13-5-9-22-11-13/h1-2,5-6,9,11,14H,3-4,7-8H2
InChIKeyIIZVXZAIGAAEOU-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.70
Rot. Bonds3

About 2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile

2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71799031) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71799031
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C16H15N3O2S/c17-10-12-2-1-6-18-15(12)21-14-3-7-19(8-4-14)16(20)13-5-9-22-11-13/h1-2,5-6,9,11,14H,3-4,7-8H2
InChIKeyIIZVXZAIGAAEOU-UHFFFAOYSA-N
XLogP2.70
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile (CID 71799031) is 2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile is N#Cc1cccnc1OC1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of 2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is IIZVXZAIGAAEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-10-12-2-1-6-18-15(12)21-14-3-7-19(8-4-14)16(20)13-5-9-22-11-13/h1-2,5-6,9,11,14H,3-4,7-8H2.
What are the key properties of 2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 313.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophene-3-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).