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

C22H27F3N4O3 — CID 47081216

IUPACN-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCC(C)c1noc(CCCNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C22H27F3N4O3/c1-14(2)19-27-18(32-28-19)4-3-11-26-20(30)15-9-12-29(13-10-15)21(31)16-5-7-17(8-6-16)22(23,24)25/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,26,30)
InChIKeyFYPCVQJRJYFLHZ-UHFFFAOYSA-N
MW452.48 g/mol
LogP3.81
Rot. Bonds7

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

N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 47081216) has the molecular formula C22H27F3N4O3 and a molecular weight of 452.48 g/mol. Its IUPAC name is N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID47081216
Molecular FormulaC22H27F3N4O3
Molecular Weight452.48 g/mol
Exact Mass452.20
IUPAC NameN-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCC(C)c1noc(CCCNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C22H27F3N4O3/c1-14(2)19-27-18(32-28-19)4-3-11-26-20(30)15-9-12-29(13-10-15)21(31)16-5-7-17(8-6-16)22(23,24)25/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,26,30)
InChIKeyFYPCVQJRJYFLHZ-UHFFFAOYSA-N
XLogP3.81
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 78854527
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55486323
N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46689590
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 52826047
N-[3-oxo-3-(propylamino)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55976217
3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472734
3-hydroxy-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 110911744
N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 25471747
N-[1-(4-propan-2-ylphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43055424

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 47081216) is N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is CC(C)c1noc(CCCNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1.
What is the InChIKey of N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is FYPCVQJRJYFLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O3/c1-14(2)19-27-18(32-28-19)4-3-11-26-20(30)15-9-12-29(13-10-15)21(31)16-5-7-17(8-6-16)22(23,24)25/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,26,30).
What are the key properties of N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 47081216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).