(2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one

C18H22FN3O3 — CID 51984852

IUPAC(2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one
SMILESCCc1noc(C2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN3O3/c1-3-16-20-17(25-21-16)13-8-10-22(11-9-13)18(23)12(2)24-15-6-4-14(19)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyLXQMVFLVYXUZQH-LBPRGKRZSA-N
MW347.39 g/mol
LogP2.94
Rot. Bonds5

About (2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one

(2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one (PubChem CID 51984852) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is (2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one
PubChem CID51984852
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name(2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one
SMILESCCc1noc(C2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN3O3/c1-3-16-20-17(25-21-16)13-8-10-22(11-9-13)18(23)12(2)24-15-6-4-14(19)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyLXQMVFLVYXUZQH-LBPRGKRZSA-N
XLogP2.94
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one with MolForge

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Related Compounds

(2R)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 51984851
2-(4-chlorophenoxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 86889096
(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one
CID 40784143
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
7-[1-oxo-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-yl]oxychromen-2-one
CID 171907324
(2S)-2-(4-fluorophenoxy)-1-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92551054
2-(1,3-benzodioxol-5-yloxy)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 91946318
2-(4-fluorophenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 120823602
(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one
CID 42561053
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51984855
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
CID 82043331
2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108549664

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one?
The IUPAC name of (2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one (CID 51984852) is (2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one.
What is the SMILES notation for (2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one?
The canonical SMILES for (2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one is CCc1noc(C2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)n1.
What is the InChIKey of (2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one?
The InChIKey is LXQMVFLVYXUZQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-3-16-20-17(25-21-16)13-8-10-22(11-9-13)18(23)12(2)24-15-6-4-14(19)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one?
(2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one has a molecular weight of 347.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-fluorophenoxy)propan-1-one is sourced from PubChem (CID 51984852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).