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

C13H16F3N3O2 — CID 100657854

IUPACcyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)7-10-17-18-11(21-10)9-3-1-2-6-19(9)12(20)8-4-5-8/h8-9H,1-7H2/t9-/m0/s1
InChIKeyRQYMZDGZIFNQBN-VIFPVBQESA-N
MW303.28 g/mol
LogP2.64
Rot. Bonds3

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

cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 100657854) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID100657854
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Namecyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)7-10-17-18-11(21-10)9-3-1-2-6-19(9)12(20)8-4-5-8/h8-9H,1-7H2/t9-/m0/s1
InChIKeyRQYMZDGZIFNQBN-VIFPVBQESA-N
XLogP2.64
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 100657854) is cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1.
What is the InChIKey of cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is RQYMZDGZIFNQBN-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)7-10-17-18-11(21-10)9-3-1-2-6-19(9)12(20)8-4-5-8/h8-9H,1-7H2/t9-/m0/s1.
What are the key properties of cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 303.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 100657854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).