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

C17H25F3N4O2 — CID 90542191

IUPAC1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCC1CCN(C(=O)C(C)N2CCC(c3nnc(C(F)(F)F)o3)CC2)CC1
InChIInChI=1S/C17H25F3N4O2/c1-11-3-7-24(8-4-11)15(25)12(2)23-9-5-13(6-10-23)14-21-22-16(26-14)17(18,19)20/h11-13H,3-10H2,1-2H3
InChIKeyBHMLAOSPDLXEGQ-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.91
Rot. Bonds3

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

1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 90542191) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID90542191
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCC1CCN(C(=O)C(C)N2CCC(c3nnc(C(F)(F)F)o3)CC2)CC1
InChIInChI=1S/C17H25F3N4O2/c1-11-3-7-24(8-4-11)15(25)12(2)23-9-5-13(6-10-23)14-21-22-16(26-14)17(18,19)20/h11-13H,3-10H2,1-2H3
InChIKeyBHMLAOSPDLXEGQ-UHFFFAOYSA-N
XLogP2.91
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.91
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]propan-1-one 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]propan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one (CID 90542191) is 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one is CC1CCN(C(=O)C(C)N2CCC(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]propan-1-one?
The InChIKey is BHMLAOSPDLXEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-11-3-7-24(8-4-11)15(25)12(2)23-9-5-13(6-10-23)14-21-22-16(26-14)17(18,19)20/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one?
1-(4-methylpiperidin-1-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 374.41 g/mol, XLogP of 2.91, 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]propan-1-one is sourced from PubChem (CID 90542191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).