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

C22H20FN5O2 — CID 121116680

IUPACN-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1
InChIInChI=1S/C22H20FN5O2/c23-18-5-3-16(4-6-18)21-26-27-22(30-21)17-9-11-28(12-10-17)14-20(29)25-19-7-1-15(13-24)2-8-19/h1-8,17H,9-12,14H2,(H,25,29)
InChIKeyCYPOVXBPGARAIV-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.57
Rot. Bonds5

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

N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 121116680) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID121116680
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1
InChIInChI=1S/C22H20FN5O2/c23-18-5-3-16(4-6-18)21-26-27-22(30-21)17-9-11-28(12-10-17)14-20(29)25-19-7-1-15(13-24)2-8-19/h1-8,17H,9-12,14H2,(H,25,29)
InChIKeyCYPOVXBPGARAIV-UHFFFAOYSA-N
XLogP3.57
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate
CID 71227279
2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 121116748
N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
CID 121116741
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 90543337
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-fluorophenyl)acetamide
CID 53155331
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-chlorophenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 90542162
N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 112843042
N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 90542157

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 121116680) is N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is N#Cc1ccc(NC(=O)CN2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is CYPOVXBPGARAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-18-5-3-16(4-6-18)21-26-27-22(30-21)17-9-11-28(12-10-17)14-20(29)25-19-7-1-15(13-24)2-8-19/h1-8,17H,9-12,14H2,(H,25,29).
What are the key properties of N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 405.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 121116680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).