N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C21H24F3N3O2 — CID 24532478

IUPACN-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C21H24F3N3O2/c1-14(2)27-11-9-17(10-12-27)26-20(28)15-3-6-18(7-4-15)29-19-8-5-16(13-25-19)21(22,23)24/h3-8,13-14,17H,9-12H2,1-2H3,(H,26,28)
InChIKeyTWUCFBZLDHELOO-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.50
Rot. Bonds5

About N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 24532478) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID24532478
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C21H24F3N3O2/c1-14(2)27-11-9-17(10-12-27)26-20(28)15-3-6-18(7-4-15)29-19-8-5-16(13-25-19)21(22,23)24/h3-8,13-14,17H,9-12H2,1-2H3,(H,26,28)
InChIKeyTWUCFBZLDHELOO-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119458718
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
[4-(methylaminomethyl)piperidin-1-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 119546141
pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 78824899
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119616797
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 24532478) is N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is CC(C)N1CCC(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is TWUCFBZLDHELOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-14(2)27-11-9-17(10-12-27)26-20(28)15-3-6-18(7-4-15)29-19-8-5-16(13-25-19)21(22,23)24/h3-8,13-14,17H,9-12H2,1-2H3,(H,26,28).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 407.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 24532478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).