N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide

C19H15F6N3O3 — CID 112500198

IUPACN-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESO=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(C(F)(F)F)nc2)CCN1
InChIInChI=1S/C19H15F6N3O3/c20-18(21,22)10-1-3-13(17(30)28-11-5-6-26-16(29)8-11)14(7-10)31-12-2-4-15(27-9-12)19(23,24)25/h1-4,7,9,11H,5-6,8H2,(H,26,29)(H,28,30)
InChIKeyBIPIQSYPDQSXFM-UHFFFAOYSA-N
MW447.34 g/mol
LogP3.92
Rot. Bonds4

About N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide

N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (PubChem CID 112500198) has the molecular formula C19H15F6N3O3 and a molecular weight of 447.34 g/mol. Its IUPAC name is N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
PubChem CID112500198
Molecular FormulaC19H15F6N3O3
Molecular Weight447.34 g/mol
Exact Mass447.10
IUPAC NameN-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESO=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(C(F)(F)F)nc2)CCN1
InChIInChI=1S/C19H15F6N3O3/c20-18(21,22)10-1-3-13(17(30)28-11-5-6-26-16(29)8-11)14(7-10)31-12-2-4-15(27-9-12)19(23,24)25/h1-4,7,9,11H,5-6,8H2,(H,26,29)(H,28,30)
InChIKeyBIPIQSYPDQSXFM-UHFFFAOYSA-N
XLogP3.92
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The IUPAC name of N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (CID 112500198) is N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is O=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(C(F)(F)F)nc2)CCN1.
What is the InChIKey of N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The InChIKey is BIPIQSYPDQSXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N3O3/c20-18(21,22)10-1-3-13(17(30)28-11-5-6-26-16(29)8-11)14(7-10)31-12-2-4-15(27-9-12)19(23,24)25/h1-4,7,9,11H,5-6,8H2,(H,26,29)(H,28,30).
What are the key properties of N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide has a molecular weight of 447.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is sourced from PubChem (CID 112500198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).