N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide

C25H24F3N5O3 — CID 141466565

IUPACN-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCc1nc(N2CCC(c3ccccc3OC(F)(F)F)CC2)no1)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H24F3N5O3/c26-25(27,28)35-21-8-4-2-6-18(21)16-10-13-33(14-11-16)24-31-22(36-32-24)9-12-29-23(34)20-15-17-5-1-3-7-19(17)30-20/h1-8,15-16,30H,9-14H2,(H,29,34)
InChIKeyHZFVZTLLUVTQFJ-UHFFFAOYSA-N
MW499.49 g/mol
LogP4.81
Rot. Bonds7

About N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide

N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide (PubChem CID 141466565) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide
PubChem CID141466565
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC NameN-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCc1nc(N2CCC(c3ccccc3OC(F)(F)F)CC2)no1)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H24F3N5O3/c26-25(27,28)35-21-8-4-2-6-18(21)16-10-13-33(14-11-16)24-31-22(36-32-24)9-12-29-23(34)20-15-17-5-1-3-7-19(17)30-20/h1-8,15-16,30H,9-14H2,(H,29,34)
InChIKeyHZFVZTLLUVTQFJ-UHFFFAOYSA-N
XLogP4.81
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 141466575
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 131896123
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 103744016
N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide
CID 57211886
N-[4-[4-(2-methoxyphenyl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
CID 44524833
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
CID 86930540
N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 91631398
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 29135128
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide (CID 141466565) is N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide is O=C(NCCc1nc(N2CCC(c3ccccc3OC(F)(F)F)CC2)no1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is HZFVZTLLUVTQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c26-25(27,28)35-21-8-4-2-6-18(21)16-10-13-33(14-11-16)24-31-22(36-32-24)9-12-29-23(34)20-15-17-5-1-3-7-19(17)30-20/h1-8,15-16,30H,9-14H2,(H,29,34).
What are the key properties of N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide?
N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 499.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 141466565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).