N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide

C22H26F3N5O2 — CID 11213066

IUPACN-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C22H26F3N5O2/c1-2-3-6-9-26-20(31)18-14-28-19(15-27-18)29-10-12-30(13-11-29)21(32)16-7-4-5-8-17(16)22(23,24)25/h4-5,7-8,14-15H,2-3,6,9-13H2,1H3,(H,26,31)
InChIKeyGADNSTZHYHGPJE-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.38
Rot. Bonds7

About N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide

N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 11213066) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide
PubChem CID11213066
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC NameN-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C22H26F3N5O2/c1-2-3-6-9-26-20(31)18-14-28-19(15-27-18)29-10-12-30(13-11-29)21(32)16-7-4-5-8-17(16)22(23,24)25/h4-5,7-8,14-15H,2-3,6,9-13H2,1H3,(H,26,31)
InChIKeyGADNSTZHYHGPJE-UHFFFAOYSA-N
XLogP3.38
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide 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

N-pentyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11698083
N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 67012400
1-pentyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]urea
CID 11328730
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109286431
N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]heptanamide
CID 66905780
N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109272354
hexanamide;6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 174505043
N-[3-(4-fluorophenyl)propyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 25095984
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109288007
[4-[5-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71083396
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413

Frequently Asked Questions

What is the IUPAC name of N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide (CID 11213066) is N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide is CCCCCNC(=O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1.
What is the InChIKey of N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide?
The InChIKey is GADNSTZHYHGPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c1-2-3-6-9-26-20(31)18-14-28-19(15-27-18)29-10-12-30(13-11-29)21(32)16-7-4-5-8-17(16)22(23,24)25/h4-5,7-8,14-15H,2-3,6,9-13H2,1H3,(H,26,31).
What are the key properties of N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide?
N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 11213066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).