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

C22H21FN4O3 — CID 50835840

IUPACN-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4F)C3)n2)cc1
InChIInChI=1S/C22H21FN4O3/c1-14(28)24-17-10-8-15(9-11-17)20-25-21(30-26-20)16-5-4-12-27(13-16)22(29)18-6-2-3-7-19(18)23/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,24,28)
InChIKeyWLDHYRPVKBBYSB-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.85
Rot. Bonds4

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

N-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 50835840) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID50835840
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4F)C3)n2)cc1
InChIInChI=1S/C22H21FN4O3/c1-14(28)24-17-10-8-15(9-11-17)20-25-21(30-26-20)16-5-4-12-27(13-16)22(29)18-6-2-3-7-19(18)23/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,24,28)
InChIKeyWLDHYRPVKBBYSB-UHFFFAOYSA-N
XLogP3.85
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.85
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-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 50835840) is N-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4F)C3)n2)cc1.
What is the InChIKey of N-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is WLDHYRPVKBBYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-14(28)24-17-10-8-15(9-11-17)20-25-21(30-26-20)16-5-4-12-27(13-16)22(29)18-6-2-3-7-19(18)23/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,24,28).
What are the key properties of N-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-[1-(2-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 408.43 g/mol, XLogP of 3.85, 4 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-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 50835840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).