N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C22H20F4N4O2 — CID 138489850

IUPACN-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C22H20F4N4O2/c23-18-12-15(19-28-21(32-29-19)22(24,25)26)6-7-17(18)20(31)27-16-8-10-30(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,27,31)
InChIKeyQLMAEKFGMJOSIZ-UHFFFAOYSA-N
MW448.42 g/mol
LogP4.29
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 138489850) has the molecular formula C22H20F4N4O2 and a molecular weight of 448.42 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID138489850
Molecular FormulaC22H20F4N4O2
Molecular Weight448.42 g/mol
Exact Mass448.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C22H20F4N4O2/c23-18-12-15(19-28-21(32-29-19)22(24,25)26)6-7-17(18)20(31)27-16-8-10-30(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,27,31)
InChIKeyQLMAEKFGMJOSIZ-UHFFFAOYSA-N
XLogP4.29
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[bromo(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-(1-ethylpyrrolidin-3-yl)-2-fluorobenzamide
CID 164881545
N-(1-benzylpiperidin-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881543
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881614
N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230915
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230814
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
2-fluoro-N-prop-2-enyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489832
2-fluoro-N-(4-methoxypyrrolidin-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 131987112
tert-butyl 3-[[4-[5-[difluoro(fluorosulfanyl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl]amino]pyrrolidine-1-carboxylate
CID 164881495
N-cyclobutyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230838
2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 178047398
2-fluoro-N-[(2,2,3,3-tetrafluorocyclobutyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489768

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 138489850) is N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1F.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is QLMAEKFGMJOSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O2/c23-18-12-15(19-28-21(32-29-19)22(24,25)26)6-7-17(18)20(31)27-16-8-10-30(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,27,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 448.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 138489850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).