N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

C20H26F2N4O3 — CID 49072892

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)NC3CCN(CC(F)F)CC3)n2)cc1
InChIInChI=1S/C20H26F2N4O3/c1-28-16-7-5-14(6-8-16)20-24-19(29-25-20)4-2-3-18(27)23-15-9-11-26(12-10-15)13-17(21)22/h5-8,15,17H,2-4,9-13H2,1H3,(H,23,27)
InChIKeyHYDYOAIYKYMTNL-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.91
Rot. Bonds9

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 49072892) has the molecular formula C20H26F2N4O3 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID49072892
Molecular FormulaC20H26F2N4O3
Molecular Weight408.45 g/mol
Exact Mass408.20
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)NC3CCN(CC(F)F)CC3)n2)cc1
InChIInChI=1S/C20H26F2N4O3/c1-28-16-7-5-14(6-8-16)20-24-19(29-25-20)4-2-3-18(27)23-15-9-11-26(12-10-15)13-17(21)22/h5-8,15,17H,2-4,9-13H2,1H3,(H,23,27)
InChIKeyHYDYOAIYKYMTNL-UHFFFAOYSA-N
XLogP2.91
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24611954
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 47889008
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-hydroxycyclohexyl)butanamide
CID 110890082
N-cyclopentyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605832
N-cyclohexyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605831
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46476811
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide
CID 39896911
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148646
N-[(1R)-1-cyclopropylethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 42101944

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 49072892) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is COc1ccc(-c2noc(CCCC(=O)NC3CCN(CC(F)F)CC3)n2)cc1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is HYDYOAIYKYMTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O3/c1-28-16-7-5-14(6-8-16)20-24-19(29-25-20)4-2-3-18(27)23-15-9-11-26(12-10-15)13-17(21)22/h5-8,15,17H,2-4,9-13H2,1H3,(H,23,27).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 408.45 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 49072892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).