(3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone

C20H24FN3O3 — CID 91918934

IUPAC(3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(Cc2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C20H24FN3O3/c21-17-5-1-4-16(12-17)20(25)24-8-2-3-14(13-24)11-18-22-19(23-27-18)15-6-9-26-10-7-15/h1,4-5,12,14-15H,2-3,6-11,13H2
InChIKeyNRFLWEAHQSURCE-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.20
Rot. Bonds4

About (3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone

(3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (PubChem CID 91918934) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
PubChem CID91918934
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name(3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(Cc2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C20H24FN3O3/c21-17-5-1-4-16(12-17)20(25)24-8-2-3-14(13-24)11-18-22-19(23-27-18)15-6-9-26-10-7-15/h1,4-5,12,14-15H,2-3,6-11,13H2
InChIKeyNRFLWEAHQSURCE-UHFFFAOYSA-N
XLogP3.20
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 90641504
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 91918927
[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 91908131
oxan-4-yl-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91918950
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 90641486
1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99992556
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(3,4-diethoxyphenyl)methanone
CID 86265842
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 90641503
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
(5-bromofuran-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90641539
4-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 99992702

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (CID 91918934) is (3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCCC(Cc2nc(C3CCOCC3)no2)C1.
What is the InChIKey of (3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is NRFLWEAHQSURCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c21-17-5-1-4-16(12-17)20(25)24-8-2-3-14(13-24)11-18-22-19(23-27-18)15-6-9-26-10-7-15/h1,4-5,12,14-15H,2-3,6-11,13H2.
What are the key properties of (3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
(3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 373.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91918934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).