2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

C15H20F3N5O3 — CID 110603052

IUPAC2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCc1nnc(N2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)o1
InChIInChI=1S/C15H20F3N5O3/c1-10-19-20-14(26-10)23-8-6-21(7-9-23)12(24)11-2-4-22(5-3-11)13(25)15(16,17)18/h11H,2-9H2,1H3
InChIKeyUXRQDPLBDHXDSL-UHFFFAOYSA-N
MW375.35 g/mol
LogP0.83
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110603052) has the molecular formula C15H20F3N5O3 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110603052
Molecular FormulaC15H20F3N5O3
Molecular Weight375.35 g/mol
Exact Mass375.15
IUPAC Name2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCc1nnc(N2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)o1
InChIInChI=1S/C15H20F3N5O3/c1-10-19-20-14(26-10)23-8-6-21(7-9-23)12(24)11-2-4-22(5-3-11)13(25)15(16,17)18/h11H,2-9H2,1H3
InChIKeyUXRQDPLBDHXDSL-UHFFFAOYSA-N
XLogP0.83
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]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

Related Compounds

1-[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110364785
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108932472
1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796472
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110288369
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperazine-1-carboxamide
CID 110610730
N,N-diethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 110419080
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110397098
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 110603034
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110610747
[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53166939

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 110603052) is 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is Cc1nnc(N2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)o1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is UXRQDPLBDHXDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O3/c1-10-19-20-14(26-10)23-8-6-21(7-9-23)12(24)11-2-4-22(5-3-11)13(25)15(16,17)18/h11H,2-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 375.35 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110603052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).