6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile

C18H14F3N3O — CID 133304422

IUPAC6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)n1
InChIInChI=1S/C18H14F3N3O/c19-12-8-14(20)17(15(21)9-12)18(25)11-4-6-24(7-5-11)16-3-1-2-13(10-22)23-16/h1-3,8-9,11H,4-7H2
InChIKeyQELGORINYQSHGI-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.47
Rot. Bonds3

About 6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile

6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 133304422) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID133304422
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)n1
InChIInChI=1S/C18H14F3N3O/c19-12-8-14(20)17(15(21)9-12)18(25)11-4-6-24(7-5-11)16-3-1-2-13(10-22)23-16/h1-3,8-9,11H,4-7H2
InChIKeyQELGORINYQSHGI-UHFFFAOYSA-N
XLogP3.47
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 133304422) is 6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)n1.
What is the InChIKey of 6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is QELGORINYQSHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-12-8-14(20)17(15(21)9-12)18(25)11-4-6-24(7-5-11)16-3-1-2-13(10-22)23-16/h1-3,8-9,11H,4-7H2.
What are the key properties of 6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile?
6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 345.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133304422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).