6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile

C18H17N3O — CID 26035276

IUPAC6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)c3ccccc3)CC2)nc1
InChIInChI=1S/C18H17N3O/c19-12-14-6-7-17(20-13-14)21-10-8-16(9-11-21)18(22)15-4-2-1-3-5-15/h1-7,13,16H,8-11H2
InChIKeyTWKAQPIKGSVMGU-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.05
Rot. Bonds3

About 6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile

6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 26035276) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID26035276
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)c3ccccc3)CC2)nc1
InChIInChI=1S/C18H17N3O/c19-12-14-6-7-17(20-13-14)21-10-8-16(9-11-21)18(22)15-4-2-1-3-5-15/h1-7,13,16H,8-11H2
InChIKeyTWKAQPIKGSVMGU-UHFFFAOYSA-N
XLogP3.05
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile (CID 26035276) is 6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(C(=O)c3ccccc3)CC2)nc1.
What is the InChIKey of 6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is TWKAQPIKGSVMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-12-14-6-7-17(20-13-14)21-10-8-16(9-11-21)18(22)15-4-2-1-3-5-15/h1-7,13,16H,8-11H2.
What are the key properties of 6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile?
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 291.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 26035276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).