ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate

C17H24F3N5O4 — CID 71793508

IUPACethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)CC1
InChIInChI=1S/C17H24F3N5O4/c1-2-28-16(27)25-9-7-24(8-10-25)13(26)11-23-5-3-12(4-6-23)14-21-22-15(29-14)17(18,19)20/h12H,2-11H2,1H3
InChIKeyNDMPRDZKQUZAAO-UHFFFAOYSA-N
MW419.40 g/mol
LogP1.57
Rot. Bonds4

About ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate (PubChem CID 71793508) has the molecular formula C17H24F3N5O4 and a molecular weight of 419.40 g/mol. Its IUPAC name is ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate
PubChem CID71793508
Molecular FormulaC17H24F3N5O4
Molecular Weight419.40 g/mol
Exact Mass419.18
IUPAC Nameethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)CC1
InChIInChI=1S/C17H24F3N5O4/c1-2-28-16(27)25-9-7-24(8-10-25)13(26)11-23-5-3-12(4-6-23)14-21-22-15(29-14)17(18,19)20/h12H,2-11H2,1H3
InChIKeyNDMPRDZKQUZAAO-UHFFFAOYSA-N
XLogP1.57
TPSA92.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate 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 ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate (CID 71793508) is ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)CC1.
What is the InChIKey of ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is NDMPRDZKQUZAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O4/c1-2-28-16(27)25-9-7-24(8-10-25)13(26)11-23-5-3-12(4-6-23)14-21-22-15(29-14)17(18,19)20/h12H,2-11H2,1H3.
What are the key properties of ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 419.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 71793508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).