N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide

C31H34F4N2O2 — CID 22048940

IUPACN-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCC(Oc3ccc(C(F)(F)F)cc3)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C31H34F4N2O2/c1-21(2)30(38)36-27-5-3-4-24(20-27)22-14-17-37(18-15-22)19-16-29(23-6-10-26(32)11-7-23)39-28-12-8-25(9-13-28)31(33,34)35/h3-13,20-22,29H,14-19H2,1-2H3,(H,36,38)
InChIKeyOUIWYANLJQCQQX-UHFFFAOYSA-N
MW542.62 g/mol
LogP7.83
Rot. Bonds9

About N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide

N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 22048940) has the molecular formula C31H34F4N2O2 and a molecular weight of 542.62 g/mol. Its IUPAC name is N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
PubChem CID22048940
Molecular FormulaC31H34F4N2O2
Molecular Weight542.62 g/mol
Exact Mass542.26
IUPAC NameN-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCC(Oc3ccc(C(F)(F)F)cc3)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C31H34F4N2O2/c1-21(2)30(38)36-27-5-3-4-24(20-27)22-14-17-37(18-15-22)19-16-29(23-6-10-26(32)11-7-23)39-28-12-8-25(9-13-28)31(33,34)35/h3-13,20-22,29H,14-19H2,1-2H3,(H,36,38)
InChIKeyOUIWYANLJQCQQX-UHFFFAOYSA-N
XLogP7.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.62
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[6-(4-fluorophenoxy)-6-phenylhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048856
N-[3-[1-[5-(3-acetylphenoxy)-5-(4-fluorophenyl)pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048891
N-[3-[1-[2-(4-fluorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049370
N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049344
N-[3-[1-[3-(4-bromophenoxy)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049169
N-[3-[1-[3-(3-acetylphenoxy)-3-(4-methoxyphenyl)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049339
N-[3-[1-[5-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049052
N-[3-[1-[(3S)-3-[3,4-bis(iodomethyl)phenoxy]-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89382966
N-[3-[1-[5-(4-bromophenoxy)-5-(4-chlorophenyl)pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048947
[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylpropyl] 2-(4-fluorophenyl)acetate
CID 20723004
2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
CID 22049411
2-(4-fluorophenyl)-5-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenylpentanoate
CID 22725373

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 22048940) is N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(CCC(Oc3ccc(C(F)(F)F)cc3)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is OUIWYANLJQCQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F4N2O2/c1-21(2)30(38)36-27-5-3-4-24(20-27)22-14-17-37(18-15-22)19-16-29(23-6-10-26(32)11-7-23)39-28-12-8-25(9-13-28)31(33,34)35/h3-13,20-22,29H,14-19H2,1-2H3,(H,36,38).
What are the key properties of N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 542.62 g/mol, XLogP of 7.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 22048940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).