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

C22H24F3N3O3 — CID 112500196

IUPAC4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCC(=O)NC2)c(Oc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C22H24F3N3O3/c1-21(2,3)13-4-7-16(20(30)28-14-5-9-19(29)27-11-14)17(10-13)31-15-6-8-18(26-12-15)22(23,24)25/h4,6-8,10,12,14H,5,9,11H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyQKIGELUSVCENQS-UHFFFAOYSA-N
MW435.45 g/mol
LogP4.20
Rot. Bonds4

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

4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (PubChem CID 112500196) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
PubChem CID112500196
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCC(=O)NC2)c(Oc2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C22H24F3N3O3/c1-21(2,3)13-4-7-16(20(30)28-14-5-9-19(29)27-11-14)17(10-13)31-15-6-8-18(26-12-15)22(23,24)25/h4,6-8,10,12,14H,5,9,11H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyQKIGELUSVCENQS-UHFFFAOYSA-N
XLogP4.20
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The IUPAC name of 4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (CID 112500196) is 4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is CC(C)(C)c1ccc(C(=O)NC2CCC(=O)NC2)c(Oc2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of 4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The InChIKey is QKIGELUSVCENQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-21(2,3)13-4-7-16(20(30)28-14-5-9-19(29)27-11-14)17(10-13)31-15-6-8-18(26-12-15)22(23,24)25/h4,6-8,10,12,14H,5,9,11H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide has a molecular weight of 435.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(6-oxopiperidin-3-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is sourced from PubChem (CID 112500196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).