[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

C17H17F3N2O2 — CID 95296331

IUPAC[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C17H17F3N2O2/c1-11-13(6-7-14(21-11)15-5-3-9-24-15)16(23)22-8-2-4-12(10-22)17(18,19)20/h3,5-7,9,12H,2,4,8,10H2,1H3/t12-/m0/s1
InChIKeyRJGSPUDTZAGGEW-LBPRGKRZSA-N
MW338.33 g/mol
LogP4.06
Rot. Bonds2

About [6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 95296331) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is [6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID95296331
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C17H17F3N2O2/c1-11-13(6-7-14(21-11)15-5-3-9-24-15)16(23)22-8-2-4-12(10-22)17(18,19)20/h3,5-7,9,12H,2,4,8,10H2,1H3/t12-/m0/s1
InChIKeyRJGSPUDTZAGGEW-LBPRGKRZSA-N
XLogP4.06
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 99718288
[(3R)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119410101
[4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119517591
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 56811264
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 120818933
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95314942
1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 102553983
[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119645055
[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119622400
[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 124938243
(4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607744
[3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 146096271

Frequently Asked Questions

What is the IUPAC name of [6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 95296331) is [6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of [6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is RJGSPUDTZAGGEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11-13(6-7-14(21-11)15-5-3-9-24-15)16(23)22-8-2-4-12(10-22)17(18,19)20/h3,5-7,9,12H,2,4,8,10H2,1H3/t12-/m0/s1.
What are the key properties of [6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 338.33 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95296331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).