N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide

C22H25F3N2O3 — CID 122194675

IUPACN-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CC(O)COc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H25F3N2O3/c23-22(24,25)17-6-8-20(9-7-17)30-15-19(28)14-27-12-10-18(11-13-27)26-21(29)16-4-2-1-3-5-16/h1-9,18-19,28H,10-15H2,(H,26,29)
InChIKeyLSHATFQUHCHGOI-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.34
Rot. Bonds7

About N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide

N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide (PubChem CID 122194675) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide
PubChem CID122194675
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC NameN-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CC(O)COc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H25F3N2O3/c23-22(24,25)17-6-8-20(9-7-17)30-15-19(28)14-27-12-10-18(11-13-27)26-21(29)16-4-2-1-3-5-16/h1-9,18-19,28H,10-15H2,(H,26,29)
InChIKeyLSHATFQUHCHGOI-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide (CID 122194675) is N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CC(O)COc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide?
The InChIKey is LSHATFQUHCHGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c23-22(24,25)17-6-8-20(9-7-17)30-15-19(28)14-27-12-10-18(11-13-27)26-21(29)16-4-2-1-3-5-16/h1-9,18-19,28H,10-15H2,(H,26,29).
What are the key properties of N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide?
N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide has a molecular weight of 422.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 122194675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).