(3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone

C21H19F3N4O3 — CID 132778970

IUPAC(3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCC(c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)c1
InChIInChI=1S/C21H19F3N4O3/c1-30-16-6-2-4-13(10-16)19(29)28-9-3-5-15(12-28)17-8-7-14(11-25-17)18-26-20(31-27-18)21(22,23)24/h2,4,6-8,10-11,15H,3,5,9,12H2,1H3
InChIKeyTUOFFSLUBLDZCA-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.18
Rot. Bonds4

About (3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone

(3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 132778970) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is (3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID132778970
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name(3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCC(c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)c1
InChIInChI=1S/C21H19F3N4O3/c1-30-16-6-2-4-13(10-16)19(29)28-9-3-5-15(12-28)17-8-7-14(11-25-17)18-26-20(31-27-18)21(22,23)24/h2,4,6-8,10-11,15H,3,5,9,12H2,1H3
InChIKeyTUOFFSLUBLDZCA-UHFFFAOYSA-N
XLogP4.18
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 132778634
(3-methoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456109
(3,5-dimethoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456031
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 1456239
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
(3-methoxyphenyl)-[(3S)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 51584575
[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 124740786
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 121069339
[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 1456111
(3-benzylpiperidin-1-yl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 53327767
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-nitrophenyl)methanone
CID 42760683

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone (CID 132778970) is (3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCCC(c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is TUOFFSLUBLDZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-30-16-6-2-4-13(10-16)19(29)28-9-3-5-15(12-28)17-8-7-14(11-25-17)18-26-20(31-27-18)21(22,23)24/h2,4,6-8,10-11,15H,3,5,9,12H2,1H3.
What are the key properties of (3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone?
(3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 432.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[3-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 132778970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).