2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide

C22H25F3N2O3 — CID 91937897

IUPAC2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCCCN2CCCCC2)cc1O
InChIInChI=1S/C22H25F3N2O3/c23-22(24,25)16-6-4-7-17(14-16)26-21(29)19-9-8-18(15-20(19)28)30-13-5-12-27-10-2-1-3-11-27/h4,6-9,14-15,28H,1-3,5,10-13H2,(H,26,29)
InChIKeyVQEBNIIHZIYIAS-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.92
Rot. Bonds7

About 2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide

2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 91937897) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is 2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID91937897
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC Name2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCCCN2CCCCC2)cc1O
InChIInChI=1S/C22H25F3N2O3/c23-22(24,25)16-6-4-7-17(14-16)26-21(29)19-9-8-18(15-20(19)28)30-13-5-12-27-10-2-1-3-11-27/h4,6-9,14-15,28H,1-3,5,10-13H2,(H,26,29)
InChIKeyVQEBNIIHZIYIAS-UHFFFAOYSA-N
XLogP4.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 91937897) is 2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCCCN2CCCCC2)cc1O.
What is the InChIKey of 2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VQEBNIIHZIYIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c23-22(24,25)16-6-4-7-17(14-16)26-21(29)19-9-8-18(15-20(19)28)30-13-5-12-27-10-2-1-3-11-27/h4,6-9,14-15,28H,1-3,5,10-13H2,(H,26,29).
What are the key properties of 2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide?
2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 422.45 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(3-piperidin-1-ylpropoxy)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 91937897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).