3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one

C16H22F3N3O2 — CID 90539832

IUPAC3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)15-21-20-14(24-15)12-7-9-22(10-8-12)13(23)6-5-11-3-1-2-4-11/h11-12H,1-10H2
InChIKeyIIXBSJKCMQKROI-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.76
Rot. Bonds4

About 3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 90539832) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID90539832
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)15-21-20-14(24-15)12-7-9-22(10-8-12)13(23)6-5-11-3-1-2-4-11/h11-12H,1-10H2
InChIKeyIIXBSJKCMQKROI-UHFFFAOYSA-N
XLogP3.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 90539912
1-(4-chlorophenyl)-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butane-1,4-dione
CID 90539805
cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 71792951
2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione
CID 90539984
1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793037
(3,5-dimethylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539839
[1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539914
1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 95805382
2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 71792964
methyl 4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzoate
CID 90539808
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 97104476

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one (CID 90539832) is 3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is IIXBSJKCMQKROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c17-16(18,19)15-21-20-14(24-15)12-7-9-22(10-8-12)13(23)6-5-11-3-1-2-4-11/h11-12H,1-10H2.
What are the key properties of 3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 345.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90539832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).