N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide

C17H17F3N4O3 — CID 71793030

IUPACN-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCCC(c2nnc(C(F)(F)F)o2)C1)c1ccccc1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)16-23-22-15(27-16)12-7-4-8-24(10-12)13(25)9-21-14(26)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,21,26)
InChIKeySEDYQNZJWWIGJP-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.22
Rot. Bonds4

About N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide

N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide (PubChem CID 71793030) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide
PubChem CID71793030
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC NameN-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCCC(c2nnc(C(F)(F)F)o2)C1)c1ccccc1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)16-23-22-15(27-16)12-7-4-8-24(10-12)13(25)9-21-14(26)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,21,26)
InChIKeySEDYQNZJWWIGJP-UHFFFAOYSA-N
XLogP2.22
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide (CID 71793030) is N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCCC(c2nnc(C(F)(F)F)o2)C1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide?
The InChIKey is SEDYQNZJWWIGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c18-17(19,20)16-23-22-15(27-16)12-7-4-8-24(10-12)13(25)9-21-14(26)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,21,26).
What are the key properties of N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide?
N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide has a molecular weight of 382.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 71793030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).