3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C23H27F3N2O2 — CID 42525374

IUPAC3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1CCN(Cc2ccccc2O)CC1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H27F3N2O2/c24-23(25,26)20-6-3-4-18(14-20)15-27-22(30)9-8-17-10-12-28(13-11-17)16-19-5-1-2-7-21(19)29/h1-7,14,17,29H,8-13,15-16H2,(H,27,30)
InChIKeyWCWQMHMUHIXFCH-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.72
Rot. Bonds7

About 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 42525374) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID42525374
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1CCN(Cc2ccccc2O)CC1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H27F3N2O2/c24-23(25,26)20-6-3-4-18(14-20)15-27-22(30)9-8-17-10-12-28(13-11-17)16-19-5-1-2-7-21(19)29/h1-7,14,17,29H,8-13,15-16H2,(H,27,30)
InChIKeyWCWQMHMUHIXFCH-UHFFFAOYSA-N
XLogP4.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42191490
3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 25461302
4-[(4-benzylpiperidin-1-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42850871
3-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42240852
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42210371
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 60842789
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 135159119
N-[(3-methyl-2-pyridinyl)methyl]-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 92633700

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 42525374) is 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCC1CCN(Cc2ccccc2O)CC1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is WCWQMHMUHIXFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c24-23(25,26)20-6-3-4-18(14-20)15-27-22(30)9-8-17-10-12-28(13-11-17)16-19-5-1-2-7-21(19)29/h1-7,14,17,29H,8-13,15-16H2,(H,27,30).
What are the key properties of 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 420.48 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 42525374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).