N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

C17H19F3N4O2 — CID 71793506

IUPACN-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)NCc1ccccc1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)16-23-22-15(26-16)13-6-8-24(9-7-13)11-14(25)21-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,21,25)
InChIKeyPSHUCRPKWYWISO-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.58
Rot. Bonds5

About N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 71793506) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID71793506
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)NCc1ccccc1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)16-23-22-15(26-16)13-6-8-24(9-7-13)11-14(25)21-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,21,25)
InChIKeyPSHUCRPKWYWISO-UHFFFAOYSA-N
XLogP2.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(3,4-difluorobenzyl)propanamide
CID 16187830
N-((1S)-3-(4-(5-((dimethylamino)methyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590943
N-((1S)-3-(4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590944
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorobenzyl)piperidine-1-carboxamide
CID 44067579
2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 71793501
4-(5-isopropyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 44067509
N-(2-chlorobenzyl)-2-(4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 49702871
N-benzyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-4-carboxamide
CID 40097715
2-Isopropyl-5-(1-(3-(trifluoromethyl)benzyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 49669471
2-{4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 49669475
N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 71792984
N-(2-oxo-2-{3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl}ethyl)benzamide
CID 71793030

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 71793506) is N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is PSHUCRPKWYWISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c18-17(19,20)16-23-22-15(26-16)13-6-8-24(9-7-13)11-14(25)21-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,21,25).
What are the key properties of N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 71793506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).