N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide

C22H22F3N3O3 — CID 55586100

IUPACN-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H22F3N3O3/c1-15(26-19(29)16-5-3-2-4-6-16)20(30)27-11-13-28(14-12-27)21(31)17-7-9-18(10-8-17)22(23,24)25/h2-10,15H,11-14H2,1H3,(H,26,29)
InChIKeyJJTBHRICEPFZAS-UHFFFAOYSA-N
MW433.43 g/mol
LogP2.81
Rot. Bonds4

About N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide

N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide (PubChem CID 55586100) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide
PubChem CID55586100
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC NameN-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H22F3N3O3/c1-15(26-19(29)16-5-3-2-4-6-16)20(30)27-11-13-28(14-12-27)21(31)17-7-9-18(10-8-17)22(23,24)25/h2-10,15H,11-14H2,1H3,(H,26,29)
InChIKeyJJTBHRICEPFZAS-UHFFFAOYSA-N
XLogP2.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 110347682
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide
CID 94667832
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 51954176
N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016035
N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016012
4-tert-butyl-N-[1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55545517
ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
CID 2667430
4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38911698
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
N-[1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 80702651
(2S)-2-amino-4-methyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pentan-1-one
CID 119729298

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide (CID 55586100) is N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide?
The InChIKey is JJTBHRICEPFZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-15(26-19(29)16-5-3-2-4-6-16)20(30)27-11-13-28(14-12-27)21(31)17-7-9-18(10-8-17)22(23,24)25/h2-10,15H,11-14H2,1H3,(H,26,29).
What are the key properties of N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide?
N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide has a molecular weight of 433.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide is sourced from PubChem (CID 55586100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).