2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

C17H23F3N2O2 — CID 111114019

IUPAC2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)C1CCN(C(C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2O2/c1-11(22-9-7-13(8-10-22)12(2)23)16(24)21-15-5-3-14(4-6-15)17(18,19)20/h3-6,11-13,23H,7-10H2,1-2H3,(H,21,24)
InChIKeyFBQLENVMAVZZBI-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.13
Rot. Bonds4

About 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 111114019) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID111114019
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)C1CCN(C(C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2O2/c1-11(22-9-7-13(8-10-22)12(2)23)16(24)21-15-5-3-14(4-6-15)17(18,19)20/h3-6,11-13,23H,7-10H2,1-2H3,(H,21,24)
InChIKeyFBQLENVMAVZZBI-UHFFFAOYSA-N
XLogP3.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114132
N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 86984105
N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113847
N-[(4-fluorophenyl)methyl]-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 55839186
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8725348
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27172955
ethyl (3S)-1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-3-carboxylate
CID 98764431
(2R)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 9466788
(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8516481
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 111114019) is 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is CC(O)C1CCN(C(C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FBQLENVMAVZZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-11(22-9-7-13(8-10-22)12(2)23)16(24)21-15-5-3-14(4-6-15)17(18,19)20/h3-6,11-13,23H,7-10H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 344.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 111114019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).