N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide

C15H20F2N2O — CID 167388987

IUPACN-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide
SMILESCC(=O)Nc1c(C)ccc(N2CCCC(F)(F)C2)c1C
InChIInChI=1S/C15H20F2N2O/c1-10-5-6-13(11(2)14(10)18-12(3)20)19-8-4-7-15(16,17)9-19/h5-6H,4,7-9H2,1-3H3,(H,18,20)
InChIKeyDTOOVTYHVCBLLE-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.50
Rot. Bonds2

About N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide

N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide (PubChem CID 167388987) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide
PubChem CID167388987
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide
SMILESCC(=O)Nc1c(C)ccc(N2CCCC(F)(F)C2)c1C
InChIInChI=1S/C15H20F2N2O/c1-10-5-6-13(11(2)14(10)18-12(3)20)19-8-4-7-15(16,17)9-19/h5-6H,4,7-9H2,1-3H3,(H,18,20)
InChIKeyDTOOVTYHVCBLLE-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine
CID 117007699
4-(3,3-difluoropiperidin-1-yl)-3-fluorobenzoic acid
CID 138986330
N-(3-iodo-2,6-dimethylphenyl)acetamide
CID 4608715
3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine
CID 117007689
4-(3,3-difluoropiperidin-1-yl)-3-fluorobenzaldehyde
CID 86810596
1-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]ethanone
CID 115034874
3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine
CID 86810649
1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine
CID 117007615
6-bromo-N-(2,4-dichlorophenyl)-2-(3,3-difluoropiperidin-1-yl)-3-methylquinoline-4-carboxamide
CID 174989571
[2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine
CID 115035536
tert-butyl 4-[3-amino-4-(3,3-difluoropiperidin-1-yl)phenyl]piperidine-1-carboxylate
CID 169488619
2-(4,4-difluoroazepan-1-yl)-5-(3,3-difluoroazetidin-1-yl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 169124720

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide?
The IUPAC name of N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide (CID 167388987) is N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide?
The canonical SMILES for N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide is CC(=O)Nc1c(C)ccc(N2CCCC(F)(F)C2)c1C.
What is the InChIKey of N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide?
The InChIKey is DTOOVTYHVCBLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10-5-6-13(11(2)14(10)18-12(3)20)19-8-4-7-15(16,17)9-19/h5-6H,4,7-9H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide?
N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide has a molecular weight of 282.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 167388987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).