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

C23H27F3N4O2 — CID 157293005

IUPAC2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide
SMILESCCCCC(C(N)=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C23H27F3N4O2/c1-2-3-6-18(21(27)31)20-10-9-16(15-28-20)29-11-13-30(14-12-29)22(32)17-7-4-5-8-19(17)23(24,25)26/h4-5,7-10,15,18H,2-3,6,11-14H2,1H3,(H2,27,31)
InChIKeyBBAFREJQEZIQTC-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.82
Rot. Bonds7

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

2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide (PubChem CID 157293005) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide.

Molecular Properties

Compound Name2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide
PubChem CID157293005
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC Name2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide
SMILESCCCCC(C(N)=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C23H27F3N4O2/c1-2-3-6-18(21(27)31)20-10-9-16(15-28-20)29-11-13-30(14-12-29)22(32)17-7-4-5-8-19(17)23(24,25)26/h4-5,7-10,15,18H,2-3,6,11-14H2,1H3,(H2,27,31)
InChIKeyBBAFREJQEZIQTC-UHFFFAOYSA-N
XLogP3.82
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide
CID 157069343
3-phenyl-1-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]propane-1-sulfonamide
CID 172853405
hexanamide;6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 174505043
butyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 108569491
N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 11213066
butyl N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]carbamate
CID 66849865
N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]heptanamide
CID 66905780
[4-[5-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71083396
N-pentyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11698083
pentyl 5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazole-2-carboxylate
CID 174538489
1-pentyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]urea
CID 11328730
[4-(2-pentyl-3H-benzimidazol-5-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 11510565

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide?
The IUPAC name of 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide (CID 157293005) is 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide.
What is the SMILES notation for 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide?
The canonical SMILES for 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide is CCCCC(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]hexanamide?
The InChIKey is BBAFREJQEZIQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c1-2-3-6-18(21(27)31)20-10-9-16(15-28-20)29-11-13-30(14-12-29)22(32)17-7-4-5-8-19(17)23(24,25)26/h4-5,7-10,15,18H,2-3,6,11-14H2,1H3,(H2,27,31).
What are the key properties of 2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide?
2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide has a molecular weight of 448.49 g/mol, XLogP of 3.82, 7 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]hexanamide is sourced from PubChem (CID 157293005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).