N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C23H27F3N2O2 — CID 100758340

IUPACN-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCC1CCN(c2ccc([C@H](C)NC(=O)COc3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C23H27F3N2O2/c1-16-10-12-28(13-11-16)20-8-6-18(7-9-20)17(2)27-22(29)15-30-21-5-3-4-19(14-21)23(24,25)26/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,27,29)/t17-/m0/s1
InChIKeyZDPSQRPUCDMOLU-KRWDZBQOSA-N
MW420.48 g/mol
LogP5.20
Rot. Bonds6

About N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 100758340) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID100758340
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC NameN-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCC1CCN(c2ccc([C@H](C)NC(=O)COc3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C23H27F3N2O2/c1-16-10-12-28(13-11-16)20-8-6-18(7-9-20)17(2)27-22(29)15-30-21-5-3-4-19(14-21)23(24,25)26/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,27,29)/t17-/m0/s1
InChIKeyZDPSQRPUCDMOLU-KRWDZBQOSA-N
XLogP5.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 132661788
2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132658442
2-(4-chlorophenoxy)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 99993525
2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125042786
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190114
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853969
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622
N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 112778632
N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9481831
2-(3,4-dimethylphenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132654687
N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757909
2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 133187413

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 100758340) is N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is CC1CCN(c2ccc([C@H](C)NC(=O)COc3cccc(C(F)(F)F)c3)cc2)CC1.
What is the InChIKey of N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ZDPSQRPUCDMOLU-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c1-16-10-12-28(13-11-16)20-8-6-18(7-9-20)17(2)27-22(29)15-30-21-5-3-4-19(14-21)23(24,25)26/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,27,29)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 420.48 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 100758340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).