5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one

C16H22F4N2O — CID 176950751

IUPAC5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one
SMILESCCC(F)(F)C(C)c1c[nH]c(=O)c(CN2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H22F4N2O/c1-3-16(19,20)11(2)12-8-13(14(23)21-9-12)10-22-6-4-15(17,18)5-7-22/h8-9,11H,3-7,10H2,1-2H3,(H,21,23)
InChIKeyPGXLPDOKLWMDPE-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.75
Rot. Bonds5

About 5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one

5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 176950751) has the molecular formula C16H22F4N2O and a molecular weight of 334.36 g/mol. Its IUPAC name is 5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID176950751
Molecular FormulaC16H22F4N2O
Molecular Weight334.36 g/mol
Exact Mass334.17
IUPAC Name5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one
SMILESCCC(F)(F)C(C)c1c[nH]c(=O)c(CN2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H22F4N2O/c1-3-16(19,20)11(2)12-8-13(14(23)21-9-12)10-22-6-4-15(17,18)5-7-22/h8-9,11H,3-7,10H2,1-2H3,(H,21,23)
InChIKeyPGXLPDOKLWMDPE-UHFFFAOYSA-N
XLogP3.75
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(Difluoromethyl)-5-piperidin-4-ylpyridin-2-one
CID 59627442
N-(2,2-difluorobutyl)-9-ethyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123247620
3,9-dimethyl-2-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123843475
(3E)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
CID 144747398
3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
CID 163237615
5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 163237635
5-Piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 163237734
1-(2,2-Difluoroethyl)-5-(4,4-difluoropiperidin-3-yl)pyridin-2-one
CID 163237763
5-(4,4-Difluoropiperidin-3-yl)-1-ethylpyridin-2-one
CID 163237844
5-(4,4-Difluoropiperidin-3-yl)pyridin-2(1H)-one
CID 163237925
5-(4,4-Difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 163238045
5-(4,4-Difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one
CID 163238151

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one (CID 176950751) is 5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one is CCC(F)(F)C(C)c1c[nH]c(=O)c(CN2CCC(F)(F)CC2)c1.
What is the InChIKey of 5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is PGXLPDOKLWMDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F4N2O/c1-3-16(19,20)11(2)12-8-13(14(23)21-9-12)10-22-6-4-15(17,18)5-7-22/h8-9,11H,3-7,10H2,1-2H3,(H,21,23).
What are the key properties of 5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one?
5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 334.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropentan-2-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 176950751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).