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

C16H21F3N4O3 — CID 110423709

IUPAC2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCc1nnc(C2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)o1
InChIInChI=1S/C16H21F3N4O3/c1-10-20-21-13(26-10)11-2-6-22(7-3-11)14(24)12-4-8-23(9-5-12)15(25)16(17,18)19/h11-12H,2-9H2,1H3
InChIKeyARRTYDGPUMAYJM-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.88
Rot. Bonds2

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

2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110423709) has the molecular formula C16H21F3N4O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110423709
Molecular FormulaC16H21F3N4O3
Molecular Weight374.36 g/mol
Exact Mass374.16
IUPAC Name2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCc1nnc(C2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)o1
InChIInChI=1S/C16H21F3N4O3/c1-10-20-21-13(26-10)11-2-6-22(7-3-11)14(24)12-4-8-23(9-5-12)15(25)16(17,18)19/h11-12H,2-9H2,1H3
InChIKeyARRTYDGPUMAYJM-UHFFFAOYSA-N
XLogP1.88
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-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)piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 110423709) is 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-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)piperidine-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)piperidine-1-carbonyl]piperidin-1-yl]ethanone is Cc1nnc(C2CCN(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)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is ARRTYDGPUMAYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O3/c1-10-20-21-13(26-10)11-2-6-22(7-3-11)14(24)12-4-8-23(9-5-12)15(25)16(17,18)19/h11-12H,2-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 374.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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)piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110423709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).