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

C21H18FN3O3 — CID 59140444

IUPAC[3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc([C@H]2CCCN(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/t16-/m0/s1
InChIKeyLMPKHIULLCSZMN-INIZCTEOSA-N
MW379.39 g/mol
LogP3.46
Rot. Bonds4

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

[3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone (PubChem CID 59140444) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is [3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
PubChem CID59140444
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name[3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc([C@H]2CCCN(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/t16-/m0/s1
InChIKeyLMPKHIULLCSZMN-INIZCTEOSA-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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Related Compounds

(4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68522779
[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92569740
[3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 70986997
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(3,4-difluorophenyl)-[3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68526656
(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 120960207
(4-fluorophenyl)-[3-[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 59556423
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343239
N-[5-[1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473815

Frequently Asked Questions

What is the IUPAC name of [3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone?
The IUPAC name of [3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone (CID 59140444) is [3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone?
The canonical SMILES for [3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1nc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)no1.
What is the InChIKey of [3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone?
The InChIKey is LMPKHIULLCSZMN-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of [3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone?
[3-[(3S)-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-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 59140444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).