[3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone

C21H18FN3O3 — CID 68524009

IUPAC[3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc(C2CCCN(C(=O)c3ccc(F)cc3)C2)no1
InChIInChI=1S/C21H18FN3O3/c22-17-10-8-15(9-11-17)21(27)25-12-4-7-16(13-25)19-23-20(28-24-19)18(26)14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12-13H2
InChIKeyLMPKHIULLCSZMN-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.46
Rot. Bonds4

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

[3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone (PubChem CID 68524009) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is [3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
PubChem CID68524009
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name[3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc(C2CCCN(C(=O)c3ccc(F)cc3)C2)no1
InChIInChI=1S/C21H18FN3O3/c22-17-10-8-15(9-11-17)21(27)25-12-4-7-16(13-25)19-23-20(28-24-19)18(26)14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12-13H2
InChIKeyLMPKHIULLCSZMN-UHFFFAOYSA-N
XLogP3.46
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone?
The IUPAC name of [3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone (CID 68524009) is [3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone?
The canonical SMILES for [3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1nc(C2CCCN(C(=O)c3ccc(F)cc3)C2)no1.
What is the InChIKey of [3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone?
The InChIKey is LMPKHIULLCSZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c22-17-10-8-15(9-11-17)21(27)25-12-4-7-16(13-25)19-23-20(28-24-19)18(26)14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12-13H2.
What are the key properties of [3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone?
[3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone has a molecular weight of 379.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 68524009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).