2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide

C21H23F3N4O2 — CID 157069343

IUPAC2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide
SMILESCCC(C(N)=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C21H23F3N4O2/c1-2-15(19(25)29)18-8-7-14(13-26-18)27-9-11-28(12-10-27)20(30)16-5-3-4-6-17(16)21(22,23)24/h3-8,13,15H,2,9-12H2,1H3,(H2,25,29)
InChIKeyACFYIJGTEMJLJO-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.04
Rot. Bonds5

About 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide

2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide (PubChem CID 157069343) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide.

Molecular Properties

Compound Name2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide
PubChem CID157069343
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide
SMILESCCC(C(N)=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C21H23F3N4O2/c1-2-15(19(25)29)18-8-7-14(13-26-18)27-9-11-28(12-10-27)20(30)16-5-3-4-6-17(16)21(22,23)24/h3-8,13,15H,2,9-12H2,1H3,(H2,25,29)
InChIKeyACFYIJGTEMJLJO-UHFFFAOYSA-N
XLogP3.04
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide
CID 157293005
3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide
CID 172853405
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 25284890
[4-[5-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71083396
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxylic acid
CID 66584270
5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxamide
CID 11653888
1-[3-(4-fluorophenyl)propyl]-3-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]urea
CID 11295486
2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;hydrochloride
CID 66953178
[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl] N-[3-[4-(trifluoromethyl)phenyl]propyl]carbamate
CID 87427845
[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl] N-[3-(4-fluorophenyl)propyl]carbamate
CID 67512391
[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl] N-(3-cyclohexylpropyl)carbamate
CID 67512570

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide?
The IUPAC name of 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide (CID 157069343) is 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide.
What is the SMILES notation for 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide?
The canonical SMILES for 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide is CCC(C(N)=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1.
What is the InChIKey of 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide?
The InChIKey is ACFYIJGTEMJLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-2-15(19(25)29)18-8-7-14(13-26-18)27-9-11-28(12-10-27)20(30)16-5-3-4-6-17(16)21(22,23)24/h3-8,13,15H,2,9-12H2,1H3,(H2,25,29).
What are the key properties of 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide?
2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide has a molecular weight of 420.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide is sourced from PubChem (CID 157069343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).