1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

C16H23F3N4O2 — CID 90542188

IUPAC1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)CC1
InChIInChI=1S/C16H23F3N4O2/c1-11-2-8-23(9-3-11)13(24)10-22-6-4-12(5-7-22)14-20-21-15(25-14)16(17,18)19/h11-12H,2-10H2,1H3
InChIKeyISJPIUZLNUKVED-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.53
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 90542188) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID90542188
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)CC1
InChIInChI=1S/C16H23F3N4O2/c1-11-2-8-23(9-3-11)13(24)10-22-6-4-12(5-7-22)14-20-21-15(25-14)16(17,18)19/h11-12H,2-10H2,1H3
InChIKeyISJPIUZLNUKVED-UHFFFAOYSA-N
XLogP2.53
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (CID 90542188) is 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is CC1CCN(C(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ISJPIUZLNUKVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-11-2-8-23(9-3-11)13(24)10-22-6-4-12(5-7-22)14-20-21-15(25-14)16(17,18)19/h11-12H,2-10H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 360.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90542188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).