N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C23H28F3N3O2 — CID 52629901

IUPACN-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1
InChIInChI=1S/C23H28F3N3O2/c1-16-10-17(2)13-28(12-16)14-19-7-4-3-6-18(19)11-27-21(30)15-29-9-5-8-20(22(29)31)23(24,25)26/h3-9,16-17H,10-15H2,1-2H3,(H,27,30)/t16-,17-/m0/s1
InChIKeyCUIWQWITUNKHSS-IRXDYDNUSA-N
MW435.49 g/mol
LogP3.66
Rot. Bonds6

About N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 52629901) has the molecular formula C23H28F3N3O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID52629901
Molecular FormulaC23H28F3N3O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC NameN-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1
InChIInChI=1S/C23H28F3N3O2/c1-16-10-17(2)13-28(12-16)14-19-7-4-3-6-18(19)11-27-21(30)15-29-9-5-8-20(22(29)31)23(24,25)26/h3-9,16-17H,10-15H2,1-2H3,(H,27,30)/t16-,17-/m0/s1
InChIKeyCUIWQWITUNKHSS-IRXDYDNUSA-N
XLogP3.66
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 52629901) is N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1.
What is the InChIKey of N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is CUIWQWITUNKHSS-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H28F3N3O2/c1-16-10-17(2)13-28(12-16)14-19-7-4-3-6-18(19)11-27-21(30)15-29-9-5-8-20(22(29)31)23(24,25)26/h3-9,16-17H,10-15H2,1-2H3,(H,27,30)/t16-,17-/m0/s1.
What are the key properties of N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 435.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 52629901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).