3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide

C20H26F6N2O2 — CID 121313654

IUPAC3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C20H26F6N2O2/c1-17(2,19(21,22)23)16(29)27-13-15(12-14-6-4-3-5-7-14)28-10-8-18(30,9-11-28)20(24,25)26/h3-7,15,30H,8-13H2,1-2H3,(H,27,29)
InChIKeyVYLZSBLGYLCVCW-UHFFFAOYSA-N
MW440.43 g/mol
LogP3.69
Rot. Bonds6

About 3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide

3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide (PubChem CID 121313654) has the molecular formula C20H26F6N2O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide
PubChem CID121313654
Molecular FormulaC20H26F6N2O2
Molecular Weight440.43 g/mol
Exact Mass440.19
IUPAC Name3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C20H26F6N2O2/c1-17(2,19(21,22)23)16(29)27-13-15(12-14-6-4-3-5-7-14)28-10-8-18(30,9-11-28)20(24,25)26/h3-7,15,30H,8-13H2,1-2H3,(H,27,29)
InChIKeyVYLZSBLGYLCVCW-UHFFFAOYSA-N
XLogP3.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]butanamide
CID 57390699
(2S)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide
CID 57401194
N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2-methyl-2-phenylpropanamide
CID 134141534
1-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclohexane-1-carboxamide
CID 134157451
N-(3-{3-[methyl(2-phenylethyl)amino]-1-piperidinyl}-3-oxopropyl)acetamide
CID 23723630
(6R)-1-[2-(3-fluorophenyl)ethyl]-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745890
(6S)-6-(4-aminobutyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
CID 16745900
(6S)-6-(4-aminobutyl)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-2,3-dione
CID 16745907
(6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
CID 53299350
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-{2-[2-(trifluoromethyl)phenyl]ethyl}acetamide
CID 16187514
(6R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-6-butylpiperazine-2,3-dione
CID 16745903
(6R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745906

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide (CID 121313654) is 3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide is CC(C)(C(=O)NCC(Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide?
The InChIKey is VYLZSBLGYLCVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F6N2O2/c1-17(2,19(21,22)23)16(29)27-13-15(12-14-6-4-3-5-7-14)28-10-8-18(30,9-11-28)20(24,25)26/h3-7,15,30H,8-13H2,1-2H3,(H,27,29).
What are the key properties of 3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide?
3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide has a molecular weight of 440.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 121313654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).