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

C18H20FN3O2 — CID 95772941

IUPAC[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc([C@H]2CCCN(C(=O)C3(c4ccccc4F)CC3)C2)no1
InChIInChI=1S/C18H20FN3O2/c1-12-20-16(21-24-12)13-5-4-10-22(11-13)17(23)18(8-9-18)14-6-2-3-7-15(14)19/h2-3,6-7,13H,4-5,8-11H2,1H3/t13-/m0/s1
InChIKeyQNZOFSNGAKKLQS-ZDUSSCGKSA-N
MW329.38 g/mol
LogP2.95
Rot. Bonds3

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

[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 95772941) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID95772941
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc([C@H]2CCCN(C(=O)C3(c4ccccc4F)CC3)C2)no1
InChIInChI=1S/C18H20FN3O2/c1-12-20-16(21-24-12)13-5-4-10-22(11-13)17(23)18(8-9-18)14-6-2-3-7-15(14)19/h2-3,6-7,13H,4-5,8-11H2,1H3/t13-/m0/s1
InChIKeyQNZOFSNGAKKLQS-ZDUSSCGKSA-N
XLogP2.95
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95772940
[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129426974
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129426975
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616
[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
(3-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 155954717
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734396
[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95734380
(2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 95734813
[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 95772941) is [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1nc([C@H]2CCCN(C(=O)C3(c4ccccc4F)CC3)C2)no1.
What is the InChIKey of [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is QNZOFSNGAKKLQS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-20-16(21-24-12)13-5-4-10-22(11-13)17(23)18(8-9-18)14-6-2-3-7-15(14)19/h2-3,6-7,13H,4-5,8-11H2,1H3/t13-/m0/s1.
What are the key properties of [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 329.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95772941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).