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

C16H22F3N5O3 — CID 110395603

IUPAC2,2,2-trifluoro-1-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCc1nnc(CN2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)o1
InChIInChI=1S/C16H22F3N5O3/c1-11-20-21-13(27-11)10-22-6-8-23(9-7-22)14(25)12-2-4-24(5-3-12)15(26)16(17,18)19/h12H,2-10H2,1H3
InChIKeySYHWKSOFEWEOJC-UHFFFAOYSA-N
MW389.38 g/mol
LogP0.82
Rot. Bonds3

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

2,2,2-trifluoro-1-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110395603) has the molecular formula C16H22F3N5O3 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]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)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110395603
Molecular FormulaC16H22F3N5O3
Molecular Weight389.38 g/mol
Exact Mass389.17
IUPAC Name2,2,2-trifluoro-1-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCc1nnc(CN2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)o1
InChIInChI=1S/C16H22F3N5O3/c1-11-20-21-13(27-11)10-22-6-8-23(9-7-22)14(25)12-2-4-24(5-3-12)15(26)16(17,18)19/h12H,2-10H2,1H3
InChIKeySYHWKSOFEWEOJC-UHFFFAOYSA-N
XLogP0.82
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]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)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 110395603) is 2,2,2-trifluoro-1-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]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)methyl]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)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone is Cc1nnc(CN2CCN(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)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is SYHWKSOFEWEOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O3/c1-11-20-21-13(27-11)10-22-6-8-23(9-7-22)14(25)12-2-4-24(5-3-12)15(26)16(17,18)19/h12H,2-10H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 389.38 g/mol, XLogP of 0.82, 3 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)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110395603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).