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

C14H21F3N4O2 — CID 90542137

IUPACN,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H21F3N4O2/c1-3-21(4-2)11(22)9-20-7-5-10(6-8-20)12-18-19-13(23-12)14(15,16)17/h10H,3-9H2,1-2H3
InChIKeyBCSKMDLHVFPMIF-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.14
Rot. Bonds5

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

N,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 90542137) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID90542137
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC NameN,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H21F3N4O2/c1-3-21(4-2)11(22)9-20-7-5-10(6-8-20)12-18-19-13(23-12)14(15,16)17/h10H,3-9H2,1-2H3
InChIKeyBCSKMDLHVFPMIF-UHFFFAOYSA-N
XLogP2.14
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 90542137) is N,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is BCSKMDLHVFPMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-3-21(4-2)11(22)9-20-7-5-10(6-8-20)12-18-19-13(23-12)14(15,16)17/h10H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 334.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90542137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).