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

C18H22FN3O2 — CID 136527124

IUPAC(4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
SMILESCCCc1nc(CN2CCCC(C(=O)c3ccc(F)cc3)C2)no1
InChIInChI=1S/C18H22FN3O2/c1-2-4-17-20-16(21-24-17)12-22-10-3-5-14(11-22)18(23)13-6-8-15(19)9-7-13/h6-9,14H,2-5,10-12H2,1H3
InChIKeyYIXCMDOGYXNYKI-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.26
Rot. Bonds6

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

(4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone (PubChem CID 136527124) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
PubChem CID136527124
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name(4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
SMILESCCCc1nc(CN2CCCC(C(=O)c3ccc(F)cc3)C2)no1
InChIInChI=1S/C18H22FN3O2/c1-2-4-17-20-16(21-24-17)12-22-10-3-5-14(11-22)18(23)13-6-8-15(19)9-7-13/h6-9,14H,2-5,10-12H2,1H3
InChIKeyYIXCMDOGYXNYKI-UHFFFAOYSA-N
XLogP3.26
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone (CID 136527124) is (4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone is CCCc1nc(CN2CCCC(C(=O)c3ccc(F)cc3)C2)no1.
What is the InChIKey of (4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is YIXCMDOGYXNYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-2-4-17-20-16(21-24-17)12-22-10-3-5-14(11-22)18(23)13-6-8-15(19)9-7-13/h6-9,14H,2-5,10-12H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone?
(4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 331.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 136527124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).