N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C19H21F3N4O4S — CID 55890842

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1nc(C2CC2)no1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H21F3N4O4S/c20-19(21,22)14-2-1-3-15(10-14)31(28,29)26-8-6-13(7-9-26)18(27)23-11-16-24-17(25-30-16)12-4-5-12/h1-3,10,12-13H,4-9,11H2,(H,23,27)
InChIKeyGNJYFACEBNEFES-UHFFFAOYSA-N
MW458.46 g/mol
LogP2.68
Rot. Bonds6

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 55890842) has the molecular formula C19H21F3N4O4S and a molecular weight of 458.46 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID55890842
Molecular FormulaC19H21F3N4O4S
Molecular Weight458.46 g/mol
Exact Mass458.12
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1nc(C2CC2)no1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H21F3N4O4S/c20-19(21,22)14-2-1-3-15(10-14)31(28,29)26-8-6-13(7-9-26)18(27)23-11-16-24-17(25-30-16)12-4-5-12/h1-3,10,12-13H,4-9,11H2,(H,23,27)
InChIKeyGNJYFACEBNEFES-UHFFFAOYSA-N
XLogP2.68
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 55890842) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(NCc1nc(C2CC2)no1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is GNJYFACEBNEFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O4S/c20-19(21,22)14-2-1-3-15(10-14)31(28,29)26-8-6-13(7-9-26)18(27)23-11-16-24-17(25-30-16)12-4-5-12/h1-3,10,12-13H,4-9,11H2,(H,23,27).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 458.46 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55890842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).