4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide

C17H19F3N2O3 — CID 23723346

IUPAC4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide
SMILESNC(=O)CCC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)13-5-3-11(4-6-13)16(25)12-2-1-9-22(10-12)15(24)8-7-14(21)23/h3-6,12H,1-2,7-10H2,(H2,21,23)
InChIKeyRLUBMGHBFXTQIU-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.39
Rot. Bonds5

About 4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide

4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide (PubChem CID 23723346) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide.

Molecular Properties

Compound Name4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide
PubChem CID23723346
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide
SMILESNC(=O)CCC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)13-5-3-11(4-6-13)16(25)12-2-1-9-22(10-12)15(24)8-7-14(21)23/h3-6,12H,1-2,7-10H2,(H2,21,23)
InChIKeyRLUBMGHBFXTQIU-UHFFFAOYSA-N
XLogP2.39
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyclopentyl-2-[4-(4-methyl-benzoyl)-piperidin-1-yl]-acetamide
CID 1438298
[1-(Methoxyacetyl)-3-piperidinyl][4-(trifluoromethyl)phenyl]methanone
CID 23723409
4-Amino-1-[4-(4-fluoro-phenyl)-4-oxo-butyl]-piperidine-4-carboxylic acid amide
CID 10494936
1-(4-Pentan-3-ylpiperazin-1-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione;hydrochloride
CID 18456194
2-ethyl-N-[4-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]butyl]hexanamide
CID 51346779
1-Acetyl-4-(2',4'-difluorobenzoyl)piperidine
CID 2740707
N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide
CID 25023822
N-Cyclohexyl-2-[4-(4-methyl-benzoyl)-piperidin-1-yl]-acetamide
CID 651461
4-(3-fluorobenzoyl)-N-propylpiperidine-1-carboxamide
CID 3223608
1-(2-Oxo-2-{3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl}ethyl)pyrrolidin-2-one
CID 16187597
N,N-dimethyl-3-[4-(trifluoromethyl)benzoyl]-1-piperidinesulfonamide
CID 16187917
{1-[3-(2-Isoxazolidinyl)propanoyl]-3-piperidinyl}[4-(trifluoromethyl)phenyl]methanone
CID 16192347

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide?
The IUPAC name of 4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide (CID 23723346) is 4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide.
What is the SMILES notation for 4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide?
The canonical SMILES for 4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide is NC(=O)CCC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide?
The InChIKey is RLUBMGHBFXTQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c18-17(19,20)13-5-3-11(4-6-13)16(25)12-2-1-9-22(10-12)15(24)8-7-14(21)23/h3-6,12H,1-2,7-10H2,(H2,21,23).
What are the key properties of 4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide?
4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide has a molecular weight of 356.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]butanamide is sourced from PubChem (CID 23723346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).