N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

C19H23F3N4O2 — CID 90540275

IUPACN-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)cc1
InChIInChI=1S/C19H23F3N4O2/c1-18(2,3)13-6-8-14(9-7-13)23-17(27)26-10-4-5-12(11-26)15-24-25-16(28-15)19(20,21)22/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,27)
InChIKeyAQGOOGUOUSSKSG-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.80
Rot. Bonds2

About N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 90540275) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID90540275
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC NameN-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)cc1
InChIInChI=1S/C19H23F3N4O2/c1-18(2,3)13-6-8-14(9-7-13)23-17(27)26-10-4-5-12(11-26)15-24-25-16(28-15)19(20,21)22/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,27)
InChIKeyAQGOOGUOUSSKSG-UHFFFAOYSA-N
XLogP4.80
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 121069721
N-(3,5-dimethylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540294
N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121069669
N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 71793689
N-(2,3-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540277
1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793037
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
N-(3,4-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540009
(2,6-difluorophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540125
(4-methoxyphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540104
(1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540208
2-methyl-6-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one
CID 95985593

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 90540275) is N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is AQGOOGUOUSSKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-18(2,3)13-6-8-14(9-7-13)23-17(27)26-10-4-5-12(11-26)15-24-25-16(28-15)19(20,21)22/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,27).
What are the key properties of N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 90540275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).