N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

C16H17F3N4O2 — CID 71792984

IUPACN-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)14-22-21-13(25-14)12-6-8-23(9-7-12)15(24)20-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,20,24)
InChIKeyIYXFQPOMBIZBLZ-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.18
Rot. Bonds3

About N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 71792984) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID71792984
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)14-22-21-13(25-14)12-6-8-23(9-7-12)15(24)20-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,20,24)
InChIKeyIYXFQPOMBIZBLZ-UHFFFAOYSA-N
XLogP3.18
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 71792984) is N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is IYXFQPOMBIZBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)14-22-21-13(25-14)12-6-8-23(9-7-12)15(24)20-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,20,24).
What are the key properties of N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71792984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).