N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C29H31F3N2O — CID 25205776

IUPACN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H31F3N2O/c30-29(31,32)25-13-11-22(12-14-25)21-28(35)33-26-15-18-34(19-16-26)20-17-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-27H,15-21H2,(H,33,35)
InChIKeyXZIYLROKLLVLGV-UHFFFAOYSA-N
MW480.57 g/mol
LogP6.05
Rot. Bonds8

About N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 25205776) has the molecular formula C29H31F3N2O and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID25205776
Molecular FormulaC29H31F3N2O
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC NameN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H31F3N2O/c30-29(31,32)25-13-11-22(12-14-25)21-28(35)33-26-15-18-34(19-16-26)20-17-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-27H,15-21H2,(H,33,35)
InChIKeyXZIYLROKLLVLGV-UHFFFAOYSA-N
XLogP6.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 25205927
4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide
CID 25205931
2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide
CID 25206081
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 25205608
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 25205437
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 22254650
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide
CID 58631035
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
2-methylsulfanyl-N-[(3R)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 96547753
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 25205776) is N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCN(CCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XZIYLROKLLVLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N2O/c30-29(31,32)25-13-11-22(12-14-25)21-28(35)33-26-15-18-34(19-16-26)20-17-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-27H,15-21H2,(H,33,35).
What are the key properties of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 480.57 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25205776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).