furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone

C16H16F3N3O3 — CID 133489078

IUPACfuran-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(Nc2ccc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C16H16F3N3O3/c17-16(18,19)25-12-3-4-14(20-10-12)21-11-5-7-22(8-6-11)15(23)13-2-1-9-24-13/h1-4,9-11H,5-8H2,(H,20,21)
InChIKeyFBZRIGDRHOUPIK-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.29
Rot. Bonds4

About furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone

furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone (PubChem CID 133489078) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone
PubChem CID133489078
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Namefuran-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(Nc2ccc(OC(F)(F)F)cn2)CC1
InChIInChI=1S/C16H16F3N3O3/c17-16(18,19)25-12-3-4-14(20-10-12)21-11-5-7-22(8-6-11)15(23)13-2-1-9-24-13/h1-4,9-11H,5-8H2,(H,20,21)
InChIKeyFBZRIGDRHOUPIK-UHFFFAOYSA-N
XLogP3.29
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 18144589
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133373359
2-(4-cyanophenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 46510338
[4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133481723
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
[1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 55599794
1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea
CID 113029543
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenylmethoxybenzamide
CID 16606665
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone (CID 133489078) is furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone is O=C(c1ccco1)N1CCC(Nc2ccc(OC(F)(F)F)cn2)CC1.
What is the InChIKey of furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The InChIKey is FBZRIGDRHOUPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c17-16(18,19)25-12-3-4-14(20-10-12)21-11-5-7-22(8-6-11)15(23)13-2-1-9-24-13/h1-4,9-11H,5-8H2,(H,20,21).
What are the key properties of furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone?
furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone has a molecular weight of 355.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 133489078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).