N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C17H23F3N2O2 — CID 111120168

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1ccccc1C(O)CNC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O2/c1-12-5-2-3-7-14(12)15(23)9-21-16(24)13-6-4-8-22(10-13)11-17(18,19)20/h2-3,5,7,13,15,23H,4,6,8-11H2,1H3,(H,21,24)
InChIKeyDZVSBQGXDYOZDT-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.42
Rot. Bonds5

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 111120168) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID111120168
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1ccccc1C(O)CNC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O2/c1-12-5-2-3-7-14(12)15(23)9-21-16(24)13-6-4-8-22(10-13)11-17(18,19)20/h2-3,5,7,13,15,23H,4,6,8-11H2,1H3,(H,21,24)
InChIKeyDZVSBQGXDYOZDT-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide
CID 111119935
(3R)-N-[(2R)-2-[(S)-methylsulfinyl]propyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97241698
(2R)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]acetic acid
CID 119367956
(3S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97240484
N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111120078
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 111565698
(3R)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071734
(3S)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071735
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71937760
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide
CID 49440645
(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 801756
N-[2-hydroxy-2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 111119691

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 111120168) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1ccccc1C(O)CNC(=O)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is DZVSBQGXDYOZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-12-5-2-3-7-14(12)15(23)9-21-16(24)13-6-4-8-22(10-13)11-17(18,19)20/h2-3,5,7,13,15,23H,4,6,8-11H2,1H3,(H,21,24).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 111120168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).