N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide

C23H26F3N3O2 — CID 55738569

IUPACN-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CN1CCC(NC(=O)CCc2ccccc2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)19-8-4-5-9-20(19)28-22(31)16-29-14-12-18(13-15-29)27-21(30)11-10-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,27,30)(H,28,31)
InChIKeyGLCUWSPIWKLAPD-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.86
Rot. Bonds7

About N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55738569) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55738569
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC NameN-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CN1CCC(NC(=O)CCc2ccccc2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)19-8-4-5-9-20(19)28-22(31)16-29-14-12-18(13-15-29)27-21(30)11-10-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,27,30)(H,28,31)
InChIKeyGLCUWSPIWKLAPD-UHFFFAOYSA-N
XLogP3.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738194
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 154755930
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171668861
N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738132
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55853187
N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738071
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-N-(4-phenylbutan-2-yl)piperazine-1-carboxamide
CID 55457980
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186
2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3670383

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide (CID 55738569) is N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide is O=C(CN1CCC(NC(=O)CCc2ccccc2)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is GLCUWSPIWKLAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c24-23(25,26)19-8-4-5-9-20(19)28-22(31)16-29-14-12-18(13-15-29)27-21(30)11-10-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,27,30)(H,28,31).
What are the key properties of N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 433.47 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55738569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).