1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one

C20H20F2N2O2 — CID 70733923

IUPAC1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)C1CCCN(C(=O)c2ncc(F)cc2F)C1
InChIInChI=1S/C20H20F2N2O2/c21-16-11-17(22)19(23-12-16)20(26)24-10-4-7-15(13-24)18(25)9-8-14-5-2-1-3-6-14/h1-3,5-6,11-12,15H,4,7-10,13H2
InChIKeyRILAHXFEYLDWLI-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.41
Rot. Bonds5

About 1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one

1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one (PubChem CID 70733923) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
PubChem CID70733923
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)C1CCCN(C(=O)c2ncc(F)cc2F)C1
InChIInChI=1S/C20H20F2N2O2/c21-16-11-17(22)19(23-12-16)20(26)24-10-4-7-15(13-24)18(25)9-8-14-5-2-1-3-6-14/h1-3,5-6,11-12,15H,4,7-10,13H2
InChIKeyRILAHXFEYLDWLI-UHFFFAOYSA-N
XLogP3.41
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one (CID 70733923) is 1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)C1CCCN(C(=O)c2ncc(F)cc2F)C1.
What is the InChIKey of 1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
The InChIKey is RILAHXFEYLDWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-16-11-17(22)19(23-12-16)20(26)24-10-4-7-15(13-24)18(25)9-8-14-5-2-1-3-6-14/h1-3,5-6,11-12,15H,4,7-10,13H2.
What are the key properties of 1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one has a molecular weight of 358.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-difluoropyridine-2-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 70733923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).