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

C13H19F3N4O2 — CID 90542190

IUPACN-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C13H19F3N4O2/c1-8(2)17-10(21)7-20-5-3-9(4-6-20)11-18-19-12(22-11)13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21)
InChIKeyMPOPLGHBOSLLII-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.79
Rot. Bonds4

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

N-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 90542190) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID90542190
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC NameN-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C13H19F3N4O2/c1-8(2)17-10(21)7-20-5-3-9(4-6-20)11-18-19-12(22-11)13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21)
InChIKeyMPOPLGHBOSLLII-UHFFFAOYSA-N
XLogP1.79
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 90542190) is N-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is CC(C)NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is MPOPLGHBOSLLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-8(2)17-10(21)7-20-5-3-9(4-6-20)11-18-19-12(22-11)13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,21).
What are the key properties of N-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 320.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90542190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).