N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C15H15F3N4O3S — CID 110322348

IUPACN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCc1nnc(-c2cccs2)o1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H15F3N4O3S/c16-15(17,18)14(24)22-5-3-9(4-6-22)12(23)19-8-11-20-21-13(25-11)10-2-1-7-26-10/h1-2,7,9H,3-6,8H2,(H,19,23)
InChIKeyDWBCBDXKFAEIHM-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.22
Rot. Bonds4

About N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110322348) has the molecular formula C15H15F3N4O3S and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110322348
Molecular FormulaC15H15F3N4O3S
Molecular Weight388.37 g/mol
Exact Mass388.08
IUPAC NameN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCc1nnc(-c2cccs2)o1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H15F3N4O3S/c16-15(17,18)14(24)22-5-3-9(4-6-22)12(23)19-8-11-20-21-13(25-11)10-2-1-7-26-10/h1-2,7,9H,3-6,8H2,(H,19,23)
InChIKeyDWBCBDXKFAEIHM-UHFFFAOYSA-N
XLogP2.22
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110322348) is N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NCc1nnc(-c2cccs2)o1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is DWBCBDXKFAEIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3S/c16-15(17,18)14(24)22-5-3-9(4-6-22)12(23)19-8-11-20-21-13(25-11)10-2-1-7-26-10/h1-2,7,9H,3-6,8H2,(H,19,23).
What are the key properties of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110322348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).