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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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).