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

C23H23FN4O3 — CID 53130404

IUPACN-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)Cc4cccc(F)c4)CC3)n2)cc1
InChIInChI=1S/C23H23FN4O3/c1-15(29)25-20-7-5-17(6-8-20)22-26-23(31-27-22)18-9-11-28(12-10-18)21(30)14-16-3-2-4-19(24)13-16/h2-8,13,18H,9-12,14H2,1H3,(H,25,29)
InChIKeyXGLBUZRPWXQXQC-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.78
Rot. Bonds5

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

N-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 53130404) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID53130404
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC NameN-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)Cc4cccc(F)c4)CC3)n2)cc1
InChIInChI=1S/C23H23FN4O3/c1-15(29)25-20-7-5-17(6-8-20)22-26-23(31-27-22)18-9-11-28(12-10-18)21(30)14-16-3-2-4-19(24)13-16/h2-8,13,18H,9-12,14H2,1H3,(H,25,29)
InChIKeyXGLBUZRPWXQXQC-UHFFFAOYSA-N
XLogP3.78
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 53130404) is N-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)Cc4cccc(F)c4)CC3)n2)cc1.
What is the InChIKey of N-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is XGLBUZRPWXQXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-15(29)25-20-7-5-17(6-8-20)22-26-23(31-27-22)18-9-11-28(12-10-18)21(30)14-16-3-2-4-19(24)13-16/h2-8,13,18H,9-12,14H2,1H3,(H,25,29).
What are the key properties of N-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 422.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 53130404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).