3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide

C22H22F3N5O2 — CID 46485770

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C22H22F3N5O2/c23-22(24,25)16-6-7-18(26-14-16)30-12-10-17(11-13-30)27-19(31)8-9-20-28-21(29-32-20)15-4-2-1-3-5-15/h1-7,14,17H,8-13H2,(H,27,31)
InChIKeyQLDRIGXAXRIFAO-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.87
Rot. Bonds6

About 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide (PubChem CID 46485770) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
PubChem CID46485770
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C22H22F3N5O2/c23-22(24,25)16-6-7-18(26-14-16)30-12-10-17(11-13-30)27-19(31)8-9-20-28-21(29-32-20)15-4-2-1-3-5-15/h1-7,14,17H,8-13H2,(H,27,31)
InChIKeyQLDRIGXAXRIFAO-UHFFFAOYSA-N
XLogP3.87
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 31369329
4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide
CID 58577214
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502231
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 55705568
2-[(2-chlorophenyl)methoxy]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55777562
2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55764655
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 25479419
3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142698
3-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142708

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide (CID 46485770) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide is O=C(CCc1nc(-c2ccccc2)no1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
The InChIKey is QLDRIGXAXRIFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c23-22(24,25)16-6-7-18(26-14-16)30-12-10-17(11-13-30)27-19(31)8-9-20-28-21(29-32-20)15-4-2-1-3-5-15/h1-7,14,17H,8-13H2,(H,27,31).
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide has a molecular weight of 445.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 46485770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).