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

C23H23FN4O3 — CID 53152337

IUPACN-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCC(c3nc(-c4cccc(F)c4)no3)CC2)cc1
InChIInChI=1S/C23H23FN4O3/c1-15(29)16-5-7-20(8-6-16)25-21(30)14-28-11-9-17(10-12-28)23-26-22(27-31-23)18-3-2-4-19(24)13-18/h2-8,13,17H,9-12,14H2,1H3,(H,25,30)
InChIKeyDISSGHAFKDDJPR-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.90
Rot. Bonds6

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

N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (PubChem CID 53152337) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
PubChem CID53152337
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC NameN-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCC(c3nc(-c4cccc(F)c4)no3)CC2)cc1
InChIInChI=1S/C23H23FN4O3/c1-15(29)16-5-7-20(8-6-16)25-21(30)14-28-11-9-17(10-12-28)23-26-22(27-31-23)18-3-2-4-19(24)13-18/h2-8,13,17H,9-12,14H2,1H3,(H,25,30)
InChIKeyDISSGHAFKDDJPR-UHFFFAOYSA-N
XLogP3.90
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152407
2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 95104324
N-(2,4-dimethylphenyl)-2-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152305
N-(4-chlorophenyl)-3-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526395
N-[3-[5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 53130324
N-carbamoyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 51105643
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 60568381
N-(2,4-dimethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 53152283
2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 53041723
N-(4-acetylphenyl)-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 56527041
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
CID 119921304
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 53041733

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (CID 53152337) is N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is CC(=O)c1ccc(NC(=O)CN2CCC(c3nc(-c4cccc(F)c4)no3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The InChIKey is DISSGHAFKDDJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-15(29)16-5-7-20(8-6-16)25-21(30)14-28-11-9-17(10-12-28)23-26-22(27-31-23)18-3-2-4-19(24)13-18/h2-8,13,17H,9-12,14H2,1H3,(H,25,30).
What are the key properties of N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 422.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 53152337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).