3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one

C14H18F5N3O — CID 164559719

IUPAC3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNc1cc(C(F)(F)F)cn(CCCN2CCCC(F)(F)C2)c1=O
InChIInChI=1S/C14H18F5N3O/c15-13(16)3-1-4-21(9-13)5-2-6-22-8-10(14(17,18)19)7-11(20)12(22)23/h7-8H,1-6,9,20H2
InChIKeyQYGXGXGFBHNMET-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.57
Rot. Bonds4

About 3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one

3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 164559719) has the molecular formula C14H18F5N3O and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID164559719
Molecular FormulaC14H18F5N3O
Molecular Weight339.31 g/mol
Exact Mass339.14
IUPAC Name3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNc1cc(C(F)(F)F)cn(CCCN2CCCC(F)(F)C2)c1=O
InChIInChI=1S/C14H18F5N3O/c15-13(16)3-1-4-21(9-13)5-2-6-22-8-10(14(17,18)19)7-11(20)12(22)23/h7-8H,1-6,9,20H2
InChIKeyQYGXGXGFBHNMET-UHFFFAOYSA-N
XLogP2.57
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one (CID 164559719) is 3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one is Nc1cc(C(F)(F)F)cn(CCCN2CCCC(F)(F)C2)c1=O.
What is the InChIKey of 3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is QYGXGXGFBHNMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5N3O/c15-13(16)3-1-4-21(9-13)5-2-6-22-8-10(14(17,18)19)7-11(20)12(22)23/h7-8H,1-6,9,20H2.
What are the key properties of 3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one?
3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 339.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(3,3-difluoropiperidin-1-yl)propyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 164559719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).