3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride

C12H16Cl2F5N3O — CID 164734524

IUPAC3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride
SMILESCl.Cl.Nc1cc(C2CNCCC2(F)F)cn(CC(F)(F)F)c1=O
InChIInChI=1S/C12H14F5N3O.2ClH/c13-11(14)1-2-19-4-8(11)7-3-9(18)10(21)20(5-7)6-12(15,16)17;;/h3,5,8,19H,1-2,4,6,18H2;2*1H
InChIKeyYPSOYJOXHDHXJA-UHFFFAOYSA-N
MW384.18 g/mol
LogP2.55
Rot. Bonds2

About 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride

3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride (PubChem CID 164734524) has the molecular formula C12H16Cl2F5N3O and a molecular weight of 384.18 g/mol. Its IUPAC name is 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride
PubChem CID164734524
Molecular FormulaC12H16Cl2F5N3O
Molecular Weight384.18 g/mol
Exact Mass383.06
IUPAC Name3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride
SMILESCl.Cl.Nc1cc(C2CNCCC2(F)F)cn(CC(F)(F)F)c1=O
InChIInChI=1S/C12H14F5N3O.2ClH/c13-11(14)1-2-19-4-8(11)7-3-9(18)10(21)20(5-7)6-12(15,16)17;;/h3,5,8,19H,1-2,4,6,18H2;2*1H
InChIKeyYPSOYJOXHDHXJA-UHFFFAOYSA-N
XLogP2.55
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.18
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride?
The IUPAC name of 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride (CID 164734524) is 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride.
What is the SMILES notation for 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride?
The canonical SMILES for 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride is Cl.Cl.Nc1cc(C2CNCCC2(F)F)cn(CC(F)(F)F)c1=O.
What is the InChIKey of 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride?
The InChIKey is YPSOYJOXHDHXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5N3O.2ClH/c13-11(14)1-2-19-4-8(11)7-3-9(18)10(21)20(5-7)6-12(15,16)17;;/h3,5,8,19H,1-2,4,6,18H2;2*1H.
What are the key properties of 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride?
3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride has a molecular weight of 384.18 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;dihydrochloride is sourced from PubChem (CID 164734524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).